SCHEMBL13086172

SCHEMBL13086172

CC(C)c1ccccc1Nc1nc2cc(C(=O)Nc3ccc4cn[nH]c4c3)c(N3CCN(C)CC3)cc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.45
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 2/20 0.43
LMNA P02545 3/20 0.41
USP2 O75604 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CFTR P13569 1/20 0.40
MET P08581 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
KDM4E B2RXH2 1/20 0.38
KDR P35968 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL2930975 0.82 MEN1 (0.38) TRPV1SMN1; SMN2LMNAUSP2MAPK1
SCHEMBL13085977 0.82 TRPV1 (0.46) TRPV1NPC1RAB9AJAK2JAK1
SCHEMBL13086268 0.81 TRPV1 (0.49) TRPV1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL13086097 0.81 TRPV1 (0.49) TRPV1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL13085976 0.80 MAOB (0.51) NPC1RAB9ASMN1; SMN2HPGDLMNA
SCHEMBL13086064 0.80 TRPV1 (0.45) TRPV1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL5134877 0.80 TRPV1 (0.41) TRPV1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL13086052 0.80 MET (0.44) TRPV1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL13086187 0.79 TRPV1 (0.45) TRPV1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL5133964 0.79 TRPV1 (0.45) TRPV1NPC1RAB9ASMN1; SMN2HPGD

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
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
WO-2007095124-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS AURORA KINASE INHIBITORS TRANSTECH PHARMA, INC. (US) 2007-08-23 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 (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 3399/4885NPC1 653/4885RAB9A 3858/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB TRPV1 3399/4885NPC1 653/4885RAB9A 3858/4885

“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.