SCHEMBL13086187

SCHEMBL13086187

O=C(Nc1ccc2cn[nH]c2c1)c1cc2nc(Nc3ccccc3C(F)(F)F)[nH]c2cc1N1CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 8/20 0.45
HPGD P15428 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ATR Q13535 1/20 0.40
CFTR P13569 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RAF1 P04049 1/20 0.39
BRAF P15056 1/20 0.39
MET P08581 1/20 0.38
PTGES O14684 1/20 0.38
KCNH2 Q12809 1/20 0.37

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
SCHEMBL5133964 0.93 TRPV1 (0.45) TRPV1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL13085979 0.91 TRPV1 (0.44) TRPV1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL2931877 0.90 TRPV1 (0.45) TRPV1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL13086064 0.90 TRPV1 (0.45) TRPV1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL2924892 0.89 PTGES (0.45) TRPV1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL2932419 0.89 TRPV1 (0.42) TRPV1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL13086197 0.88 IRAK4 (0.40) TRPV1IRAK4RAF1BRAFPTGES
SCHEMBL2929864 0.88 TRPV1 (0.47) TRPV1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL5135117 0.88 HPGD (0.43) TRPV1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL13086210 0.88 TRPV1 (0.43) TRPV1HPGDNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014193696-A2 BENZIMIDAZOLE CARBOXYLIC ACID DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS AURORA KINASE INHIBITORS TRANSTECH PHARMA, LLC (US) 2014-12-04 WO disclosed
US-8377983-B2 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors TRANSTECH PHARMA, INC. (US) 2013-02-19 US disclosed
US-8377983-B2 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors TRANSTECH PHARMA, INC. (US) 2013-02-19 US disclosed
US-7820821-B2 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors TRANSTECH PHARMA, INC. (US) 2010-10-26 US disclosed
US-7820821-B2 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors TRANSTECH PHARMA, INC. (US) 2010-10-26 US disclosed
US-20100152170-A1 Benzazole Derivatives, Compositions, And Methods Of Use As Aurora Kinase Inhibitors TRANSTECH PHARMA, INC. (US) 2010-06-17 US disclosed
US-20100152170-A1 Benzazole Derivatives, Compositions, And Methods Of Use As Aurora Kinase Inhibitors TRANSTECH PHARMA, INC. (US) 2010-06-17 US disclosed
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors VTVX HOLDINGS I LLC 2007-09-20 US disclosed
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors VTVX HOLDINGS I LLC 2007-09-20 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 (2 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-20100152170-A1 Benzazole Derivatives, Compositions, And Methods Of Use As Aurora Kinase Inhibitors AURKC, AURKA, AURKB TRPV1 3399/4885HPGD 3750/4885NPC1 653/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB TRPV1 3399/4885HPGD 3750/4885NPC1 653/4885

“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.