Sugi Predict

Sugi Predict / Compounds / SCHEMBL4292933

SCHEMBL4292933

SCHEMBL4292933

CN1CCCC1c1cccc(F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 3/20 0.64
▸ CHRNB4 P30926 3/20 0.64
▸ CHRNA3 P32297 3/20 0.64
▸ CHRNA7 P36544 3/20 0.64
▸ CHRNA4 P43681 3/20 0.64
▸ RIPK1 Q13546 1/20 0.58
▸ ALDH1A1 P00352 2/20 0.54
▸ CHRNA2 Q15822 2/20 0.54
▸ LMNA P02545 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ HTR3E A5X5Y0 1/20 0.54
▸ PSIP1 O75475 1/20 0.54
▸ TRPA1 O75762 1/20 0.54
▸ HTR3B O95264 1/20 0.54
▸ CHRNA1 P02708 1/20 0.54
▸ CHRNG P07510 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ CHRNB1 P11230 1/20 0.54
▸ CYP2A6 P11509 1/20 0.54
▸ PTGS1 P23219 1/20 0.54

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
SCHEMBL21859861 1.00 CHRNB2 (0.64) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL27112626 1.00 CHRNB2 (0.64) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL4291474 0.95 CHRNB2 (0.57) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL4294410 0.90 RIPK1 (0.50) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL19275746 0.83 CHRNB2 (0.68) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL13162103 0.81 CHRNB2 (0.66) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL24310054 0.80 CHRNB2 (0.64) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL20959170 0.80 RIPK1 (0.58) RIPK1LMNA
SCHEMBL20703257 0.80 RIPK1 (0.58) RIPK1LMNA
SCHEMBL17331994 0.80 CHRNB2 (0.64) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067631-A1 PYRAZOLE DERIVATIVES USEFUL AS NAMPT MODULATORS CYTOKINETICS, INC. 2024-02-29 — — US disclosed
US-20230033360-A1 COMPOUNDS AS CD73 INHIBITORS BIOARDIS LLC 2023-02-02 — — US disclosed
WO-2022140290-A1 PYRAZOLE DERIVATIVES USEFUL AS NAMPT MODULATORS CYTOKINETICS, INC. (US) 2022-06-30 — — WO disclosed
EP-3416957-B1 6-HETEROCYCLYL-4-MORPHOLIN-4-YLPYRIDIN-2-ONE COMPOUNDS USEFUL FOR THE TREATMENT OF CANCER AND DIABETES SPRINT BIOSCIENCE AB (SE) 2020-07-01 — — EP disclosed
WO-2019027054-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-02-07 — — WO disclosed
EP-3299372-A1 INTERMEDIATE COMPOUNDS FOR THE PREPARATION OFSUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS Array Biopharma, Inc. (US) 2018-03-28 — — EP disclosed
EP-3106463-B1 SUBSTITUTED PYRAZOLO[1,5-]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2018-02-28 — — EP disclosed
EP-2451812-B1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2017-11-08 — — EP disclosed
US-9795611-B2 Method of treatment using substituted imidazo[1,2b]pyridazine compounds ARRAY BIOPHARMA, INC. (US) 2017-10-24 — — US disclosed
US-9796724-B2 Substituted pyrazolo[1,5-a]pyrimidine compounds as Trk kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2017-10-24 — — US disclosed
US-8513263-B2 Substituted pyrazolo[1,5-a]pyrimidine compounds as Trk kinase inhibitors ARRAY BIOPHARMA INC. (US) 2013-08-20 — — US disclosed
US-8450322-B2 Substituted imidazo[1,2b]pyridazine compounds as Trk kinase inhibitors ARRAY BIOPHARMA INC. (US) 2013-05-28 — — US disclosed
US-8394789-B2 (Dihydro)pyrrolo[2,1-α]isoquinolines MSD OSS B.V. (NL) 2013-03-12 — — US disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 — — US disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 — — US disclosed
US-20120108568-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2012-05-03 — — US disclosed
US-20110195948-A1 Substituted Pyrazolo[1,5-a]Pyrimidine Compounds as TRK Kinase Inhibitors ARRAY BIOPHARMA INC. (US) 2011-08-11 — — US disclosed
US-20110166122-A1 SUBSTITUTED IMIDAZO[1,2b]PYRIDAZINE COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2011-07-07 — — US disclosed
US-20110039832-A1 DIHYDRO)PYRROLO[2,1-A]ISOQUINOLINES N.V. ORGANON (NL) 2011-02-17 — — US disclosed
US-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-09-30 — — 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 (7 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-20230033360-A1 COMPOUNDS AS CD73 INHIBITORS ENTPD5, ENTPD1, NT5E CHRNB2 1151/4885CHRNB4 1277/4885CHRNA3 941/4885
US-20110195948-A1 Substituted Pyrazolo[1,5-a]Pyrimidine Compounds as TRK Kinase Inhibitors PDXK, DTYMK, TNNI3K CHRNB2 2211/4885CHRNB4 2116/4885CHRNA3 1470/4885
US-20110039832-A1 DIHYDRO)PYRROLO[2,1-A]ISOQUINOLINES PKD2, PKD1, CATSPER1 CHRNB2 4670/4885CHRNB4 4767/4885CHRNA3 4501/4885
US-20110166122-A1 SUBSTITUTED IMIDAZO[1,2b]PYRIDAZINE COMPOUNDS AS TRK KINASE INHIBITORS NTRK1, NTRK3, NTRK2 CHRNB2 796/4885CHRNB4 906/4885CHRNA3 772/4885
US-20240067631-A1 PYRAZOLE DERIVATIVES USEFUL AS NAMPT MODULATORS NAMPT, NNT, NAPRT CHRNB2 3593/4885CHRNB4 3573/4885CHRNA3 1894/4885
US-20120108568-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS FRK, TXK, TNNI3K CHRNB2 1521/4885CHRNB4 1494/4885CHRNA3 1110/4885
US-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF TRPV1, FGFR3, GPR17 CHRNB2 871/4885CHRNB4 1181/4885CHRNA3 521/4885

“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.