SCHEMBL10022396

SCHEMBL10022396

Cc1nc(-c2cccnc2)sc1C(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.56
CYP1A2 P05177 5/20 0.56
CYP2C19 P33261 4/20 0.56
LMNA P02545 1/20 0.56
CYP2A6 P11509 4/20 0.50
CYP2C9 P11712 3/20 0.50
CYP2E1 P05181 2/20 0.50
CYP2B6 P20813 2/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
CYP19A1 P11511 2/20 0.47
ALOX5 P09917 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP2D6 P10635 2/20 0.46
KDM4E B2RXH2 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
AXL P30530 1/20 0.44
PBRM1 Q86U86 1/20 0.44
MKNK1 Q9BUB5 1/20 0.44

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
SCHEMBL1459975 0.83 ALOX5 (0.60) CYP3A4CYP1A2CYP2C19LMNACYP2A6
SCHEMBL12009456 0.82 SMN1; SMN2 (0.53) CYP3A4CYP1A2CYP2C19LMNACYP2C9
SCHEMBL266592 0.80 CYP3A4 (0.61) CYP3A4CYP1A2CYP2C19LMNACYP2A6
SCHEMBL10022375 0.80 CDC7 (0.47) NPC1RAB9ACYP19A1KDM4ESMN1; SMN2
SCHEMBL12278149 0.79 CYP3A4 (0.60) CYP3A4CYP1A2CYP2C19LMNACYP2A6
SCHEMBL17590206 0.78 CYP3A4 (0.58) CYP3A4CYP1A2CYP2C19LMNACYP2A6
SCHEMBL1679638 0.78 CYP3A4 (0.58) CYP3A4CYP1A2CYP2C19LMNACYP2A6
SCHEMBL290740 0.78 CYP3A4 (0.62) CYP3A4CYP1A2CYP2C19LMNACYP2A6
SCHEMBL290778 0.76 CYP3A4 (0.59) CYP3A4CYP1A2CYP2C19LMNACYP2A6
SCHEMBL8024677 0.76 CYP1A2 (0.71) CYP3A4CYP1A2CYP2C19LMNACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023146897-A1 2-SUBSTITUTED THIAZOLE HSD17B13 INHIBITORS AND USES THEREOF INIPHARM, INC. (US) 2023-08-03 WO disclosed
US-20120165322-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 US disclosed
US-20120165322-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 US disclosed
WO-2008095852-A1 BRONCHORELAXING ARYLAMIDES RESPIRATORIUS AB (SE) 2008-08-14 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 (1 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-20120165322-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, RHOA CYP3A4 2215/4885CYP1A2 1116/4885CYP2C19 1287/4885

“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.