SCHEMBL13086216

SCHEMBL13086216

CN1CCN(c2cc3[nH]c(Nc4nccn4C4CSC4)nc3cc2C(=O)Nc2ccc3cn[nH]c3c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.39
LMNA P02545 2/20 0.38
USP2 O75604 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PDGFRB P09619 3/20 0.36
PDGFRA P16234 3/20 0.36
ROCK2 O75116 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 1/20 0.36
ROCK1 Q13464 1/20 0.36
MET P08581 1/20 0.36
KDM4E B2RXH2 1/20 0.36
KDR P35968 1/20 0.35
MAOB P27338 1/20 0.35
EGFR P00533 1/20 0.35
FGFR1 P11362 1/20 0.35
FLT1 P17948 1/20 0.35

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
SCHEMBL2933728 0.91 LMNA (0.39) TRPV1LMNAUSP2MAPK1HSD17B10
SCHEMBL13086257 0.87 ROCK2 (0.41) TRPV1ROCK2NPC1RAB9AROCK1
SCHEMBL13086054 0.86 LMNA (0.39) TRPV1LMNAUSP2MAPK1HSD17B10
SCHEMBL2933750 0.85 TRPV1 (0.41) TRPV1LMNAUSP2MAPK1HSD17B10
SCHEMBL13086075 0.85 ATR (0.41) TRPV1LMNAUSP2MAPK1HSD17B10
SCHEMBL2933096 0.83 KCNH2 (0.35)
SCHEMBL13086052 0.83 MET (0.44) TRPV1LMNAUSP2MAPK1HSD17B10
SCHEMBL2930761 0.83 TRPV1 (0.39) TRPV1LMNAUSP2MAPK1HSD17B10
SCHEMBL14452331 0.81 TRPV1 (0.37) TRPV1LMNAUSP2MAPK1HSD17B10
SCHEMBL2927581 0.80 GOT1 (0.38) TRPV1

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 3399/4885LMNA 1520/4885USP2 2536/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB TRPV1 3399/4885LMNA 1520/4885USP2 2536/4885

“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.