SCHEMBL14560232

SCHEMBL14560232

CC(C)N1C(=O)Cc2ccncc21

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BMPR1B O00238 11/20 0.46
BMPR1A P36894 11/20 0.46
ACVRL1 P37023 11/20 0.46
ACVR1 Q04771 11/20 0.46
TGFBR1 P36897 8/20 0.46
SMN1; SMN2 Q16637 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP3A4 P08684 2/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP2C9 P11712 1/20 0.34
MITF O75030 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
NOTUM Q6P988 1/20 0.33
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL13000004 0.87 BMPR1B (0.49) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL13019295 0.85 SMN1; SMN2 (0.40) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL23563044 0.83 SIGMAR1 (0.41) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL17244899 0.80 SIGMAR1 (0.32) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL12045381 0.77 ACVRL1 (0.43) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL14560229 0.77 BMPR1B (0.43) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL8136850 0.75 SMN1; SMN2 (0.40) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL4200813 0.75 NOTUM (0.51) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL29348229 0.74 CYP3A4 (0.36) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL21733177 0.74 SIGMAR1 (0.35) CYP3A4CYP2C9LMNANOTUMSIGMAR1

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-2014008458-A2 N-SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2014-01-09 WO disclosed
US-20110059047-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-03-10 US disclosed
US-7189721-B2 Bicyclic protein kinase inhibitors SUGEN INC. (US) 2007-03-13 US disclosed
US-7189721-B2 Bicyclic protein kinase inhibitors SUGEN INC. (US) 2007-03-13 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 (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-20110059047-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 BMPR1B 2102/4885BMPR1A 2656/4885ACVRL1 1316/4885

“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.