SCHEMBL944622

SCHEMBL944622

NC(=O)c1ncccc1N1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.51
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
PIM1 P11309 1/20 0.46
PIM3 Q86V86 1/20 0.46
ATR Q13535 1/20 0.45
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
AURKA O14965 1/20 0.44
RPS6KB1 P23443 1/20 0.44
SCN9A Q15858 3/20 0.44
SCN5A Q14524 1/20 0.43
KDM4E B2RXH2 2/20 0.43
HTT P42858 2/20 0.43
HSD17B10 Q99714 2/20 0.43
HPGD P15428 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.41

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
SCHEMBL5480998 0.86 POLB (0.62) POLBALDH1A1SMN1; SMN2PIM1PIM3
SCHEMBL17478686 0.86 PIM1 (0.56) SMN1; SMN2PIM1PIM3KDM4EHTT
SCHEMBL18412761 0.85 POLB (0.51) POLBALDH1A1SMN1; SMN2PIM1PIM3
SCHEMBL18607846 0.84 PIM1 (0.58) ALDH1A1SMN1; SMN2PIM1PIM3CYP1A2
SCHEMBL18395020 0.84 POLB (0.54) POLBALDH1A1SMN1; SMN2PIM1PIM3
SCHEMBL25411523 0.82 HTR2A (0.54) ALDH1A1PIM1PIM3KDM4EMAPT
SCHEMBL29402590 0.82 MEN1 (0.46) ALDH1A1SMN1; SMN2PIM1PIM3CYP1A2
SCHEMBL30263296 0.82 HTR2A (0.54) ALDH1A1PIM1PIM3KDM4EMAPT
SCHEMBL935378 0.82 KDM4E (0.48) ALDH1A1PIM1PIM3KDM4EHTT
SCHEMBL24611945 0.81 POLB (0.48) POLBALDH1A1SMN1; SMN2CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220306588-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2022-09-29 US claimed
US-20170196844-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. 2017-07-13 US disclosed
US-9586932-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2017-03-07 US disclosed
US-20160130251-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. 2016-05-12 US disclosed
US-9067933-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2015-06-30 US disclosed
US-20140018370-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. 2014-01-16 US disclosed
US-8598360-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2013-12-03 US disclosed
US-8552196-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2013-10-08 US disclosed
US-8378108-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2013-02-19 US disclosed
US-20130035339-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC (US) 2013-02-07 US disclosed
US-20130012521-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2013-01-10 US disclosed
US-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2011-01-13 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-20140018370-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 POLB 4017/4885ALDH1A1 4244/4885SMN1; SMN2 1575/4885
US-20220306588-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS ADORA1, ADORA2A, ADORA3 POLB 1346/4885ALDH1A1 1065/4885SMN1; SMN2 4438/4885
US-20170196844-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 POLB 4017/4885ALDH1A1 4244/4885SMN1; SMN2 1575/4885
US-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, AIFM1 POLB 3948/4885ALDH1A1 4337/4885SMN1; SMN2 1635/4885
US-20160130251-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 POLB 4017/4885ALDH1A1 4244/4885SMN1; SMN2 1575/4885
US-20130035339-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, MAP3K6 POLB 3954/4885ALDH1A1 4158/4885SMN1; SMN2 1552/4885
US-20130012521-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 POLB 4017/4885ALDH1A1 4244/4885SMN1; SMN2 1575/4885

“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.