Sugi Predict

Sugi Predict / Compounds / SCHEMBL4208170

SCHEMBL4208170

SCHEMBL4208170

COC(=O)c1cc(N)ccc1C#N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 4/20 0.56
▸ KDM4E B2RXH2 9/20 0.53
▸ ALDH1A1 P00352 8/20 0.53
▸ USP2 O75604 1/20 0.53
▸ HPGD P15428 5/20 0.47
▸ MAPT P10636 4/20 0.44
▸ HSD17B10 Q99714 3/20 0.44
▸ GLA P06280 1/20 0.44
▸ CASP1 P29466 1/20 0.44
▸ CASP7 P55210 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ CFTR P13569 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ RXFP1 Q9HBX9 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ ABL1 P00519 1/20 0.42

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
SCHEMBL16049537 0.87 GAA (0.60) GAAKDM4EALDH1A1USP2HPGD
SCHEMBL25256914 0.81 CA12 (0.61) GAAKDM4EALDH1A1HPGDMAPT
SCHEMBL5846153 0.81 GAA (0.51) GAAKDM4EALDH1A1HPGDMAPT
SCHEMBL2818982 0.81 KDM4E (0.53) GAAKDM4EALDH1A1HPGDMAPT
SCHEMBL14739172 0.81 KDM4E (0.49) GAAKDM4EALDH1A1USP2HPGD
SCHEMBL17664440 0.81 ALDH1A1 (0.45) GAAKDM4EALDH1A1HPGDMAPT
SCHEMBL4316682 0.80 CYP1A2 (0.56) GAAKDM4EALDH1A1HPGDMAPT
SCHEMBL1308471 0.80 ABL1 (0.54) GAAKDM4EALDH1A1HPGDMAPT
SCHEMBL29746327 0.80 NR4A2 (0.48) GAAKDM4EALDH1A1HPGDMAPT
SCHEMBL1110936 0.80 HPGD (0.53) GAAKDM4EALDH1A1HPGDMAPT

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111196804-B TGF-beta R1 inhibitors and uses thereof 南京圣和药业股份有限公司 2023-11-07 — — CN disclosed
US-11312726-B2 Thienodiazepine derivatives and application thereof CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2022-04-26 — — US disclosed
US-20210017190-A1 THIENODIAZEPINE DERIVATIVES AND APPLICATION THEREOF CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2021-01-21 — — US disclosed
CN-111196804-A TGF- β R1 inhibitor and application thereof 南京圣和药业股份有限公司 2020-05-26 — — CN disclosed
US-8987242-B2 Morpholinone compounds as factor IXA inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-24 — — US disclosed
US-8501814-B2 Selective androgen receptor modulators ORION CORPORATION (FI) 2013-08-06 — — US disclosed
US-8501814-B2 Selective androgen receptor modulators ORION CORPORATION (FI) 2013-08-06 — — US disclosed
EP-2473491-B1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARM CO LTD (JP) 2013-07-17 — — EP disclosed
EP-1991523-B1 SELECTIVE ANDROGEN RECEPTOR MODULATORS ORION CORP (FI) 2012-08-15 — — EP disclosed
EP-1991523-B1 SELECTIVE ANDROGEN RECEPTOR MODULATORS ORION CORP (FI) 2012-08-15 — — EP disclosed
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-06-09 — — US disclosed
WO-2011025565-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2011-03-03 — — WO disclosed
EP-2081925-A1 BENZOYLPYRAZOLES, THEIR USE AS AS HERBICIDES, AND INTERMEDIATES Bayer CropScience AG (DE) 2009-07-29 — — EP disclosed
US-20090054525-A1 SELECTIVE ANDROGEN RECEPTOR MODULATORS ORION CORPORATION (FI) 2009-02-26 — — US disclosed
US-20090054525-A1 SELECTIVE ANDROGEN RECEPTOR MODULATORS ORION CORPORATION (FI) 2009-02-26 — — US disclosed
EP-1991523-A1 SELECTIVE ANDROGEN RECEPTOR MODULATORS ORION CORPORATION (FI) 2008-11-19 — — EP disclosed
WO-2008043456-A1 BENZOYLPYRAZOLES, THEIR USE AS AS HERBICIDES, AND INTERMEDIATES BAYER CROPSCIENCE AG (DE) 2008-04-17 — — WO disclosed
WO-2007099200-A1 SELECTIVE ANDROGEN RECEPTOR MODULATORS ORION CORPORATION (FI) 2007-09-07 — — WO disclosed
WO-2007099200-A1 SELECTIVE ANDROGEN RECEPTOR MODULATORS ORION CORPORATION (FI) 2007-09-07 — — WO 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 (4 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-20210017190-A1 THIENODIAZEPINE DERIVATIVES AND APPLICATION THEREOF BRD4, BRD3, BRD2 GAA 2221/4885KDM4E 380/4885ALDH1A1 1724/4885
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 GAA 1405/4885KDM4E 773/4885ALDH1A1 2444/4885
US-20090054525-A1 SELECTIVE ANDROGEN RECEPTOR MODULATORS AR, SHBG, FSHR GAA 443/4885KDM4E 1590/4885ALDH1A1 1358/4885
US-11312726-B2 Thienodiazepine derivatives and application thereof BRD4, BRD3, BRD2 GAA 2221/4885KDM4E 380/4885ALDH1A1 1724/4885

“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.