Sugi Predict

Sugi Predict / Compounds / SCHEMBL105405

SCHEMBL105405

SCHEMBL105405

CC(C)c1ccc(C#N)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 3/20 0.42
▸ VCAM1 P19320 1/20 0.41
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ PDK1 Q15118 1/20 0.37
▸ PDK2 Q15119 1/20 0.37
▸ PDK3 Q15120 1/20 0.37
▸ PDK4 Q16654 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ CYP2A6 P11509 1/20 0.37
▸ TRPV4 Q9HBA0 1/20 0.35
▸ KCNH2 Q12809 3/20 0.35
▸ SLC6A4 P31645 2/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ HSD11B1 P28845 1/20 0.35
▸ EEF2K O00418 1/20 0.35
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ CA1 P00915 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18721048 0.85 KIF11 (0.42) HSD11B1
SCHEMBL19771883 0.85 AR (0.41) ARVCAM1LMNATP53HTT
SCHEMBL26916884 0.85 LMNA (0.58) ARVCAM1LMNATP53HTT
SCHEMBL3737426 0.85 PDE2A (0.50) ARVCAM1LMNATP53HTT
SCHEMBL26620605 0.85 LMNA (0.58) ARVCAM1LMNATP53HTT
SCHEMBL27958799 0.85 AR (0.41) ARVCAM1LMNATP53HTT
SCHEMBL11890398 0.84 VCAM1 (0.44) ARVCAM1PDK1PDK2PDK3
SCHEMBL19771884 0.82 PDK1 (0.40) ARVCAM1LMNATP53HTT
SCHEMBL13152109 0.82 ALOX5AP (0.39) ARVCAM1LMNATP53HTT
SCHEMBL13377029 0.81 CYP2A6 (0.41) LMNAALDH1A1CYP2A6TRPV4CA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 99 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024126117-A1 PYRIMIDINONE DERIVATIVES AS PESTICIDAL COMPOUNDS BASF SE (DE) 2024-06-20 — — WO disclosed
WO-2024006559-A1 MODULATORS OF NLRP3 INFLAMMASOME AND RELATED PRODUCTS AND METHODS Neumora Therapeutics, Inc. (US) 2024-01-04 — — WO disclosed
US-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2023-09-05 — — US disclosed
US-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2023-09-05 — — US disclosed
US-20230227426-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND USE AKEBIA THERAPEUTICS, INC. (US) 2023-07-20 — — US disclosed
US-20230043959-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS INCYTE CORPORATION 2023-02-09 — — US disclosed
US-11566015-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2023-01-31 — — US disclosed
US-20230026696-A1 TRPV4 RECEPTOR LIGANDS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-01-26 — — US disclosed
US-20220395506-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2022-12-15 — — US disclosed
US-20220324866-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2022-10-13 — — US disclosed
US-20110224190-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS INCYTE CORPORATION 2011-09-15 — — US disclosed
US-20110224190-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS INCYTE CORPORATION 2011-09-15 — — US disclosed
US-20110223210-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION, A DELAWARE CORPORATION 2011-09-15 — — US disclosed
US-20110166165-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND USE THEREOF AS GPR119 MODULATORS SCHERING CORPORATION (US) 2011-07-07 — — US disclosed
WO-2010114958-A1 BRIDGED BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2010-10-07 — — WO disclosed
US-20100022522-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS Incyte Corporationn, a Delaware corporation 2010-01-28 — — US disclosed
US-7598257-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as janus kinase inhibitors INCYTE CORPORATION (US) 2009-10-06 — — US disclosed
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-07-16 — — US disclosed
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-07-16 — — US disclosed
US-20070135461-A1 3-Cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile; immune-related diseases, skin disorders, myeloid proliferative disorders, cancer INCYTE CORPORATION 2007-06-14 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110166165-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND USE THEREOF AS GPR119 MODULATORS GPR119, GPR88, GCGR AR 455/4885VCAM1 1730/4885LMNA 3322/4885
US-11566015-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof MC3R, MC1R, MC2R AR 413/4885VCAM1 2932/4885LMNA 4172/4885
US-20220395506-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 AR 3947/4885VCAM1 2919/4885LMNA 4785/4885
US-20220324866-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS DGKG, DGKB, DGKK AR 2841/4885VCAM1 2279/4885LMNA 4186/4885
US-20110223210-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 AR 3947/4885VCAM1 2919/4885LMNA 4785/4885
US-20070135461-A1 3-Cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile; immune-related diseases, skin disorders, myeloid proliferative disorders, cancer JAK1, JAK3, MAP3K4 AR 3466/4885VCAM1 2433/4885LMNA 4541/4885
US-20230227426-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND USE HIF1AN, EGLN3, PHF20 AR 3966/4885VCAM1 736/4885LMNA 4082/4885
US-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 AR 3947/4885VCAM1 2919/4885LMNA 4785/4885
US-20230026696-A1 TRPV4 RECEPTOR LIGANDS TRPV4, TRPV2, TRPV3 AR 971/4885VCAM1 883/4885LMNA 2954/4885
US-20100022522-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 AR 3947/4885VCAM1 2919/4885LMNA 4785/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 AR 3947/4885VCAM1 2919/4885LMNA 4785/4885
US-20110224190-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS JAK1, JAK2, JAK3 AR 2490/4885VCAM1 754/4885LMNA 4748/4885
US-20230043959-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS JAK1, JAK2, JAK3 AR 2620/4885VCAM1 664/4885LMNA 4686/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.