SCHEMBL2925829

SCHEMBL2925829

CN1CCN(c2cc(N)c(N)cc2C(=O)Nc2ccc3cn[nH]c3c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.53
LMNA P02545 3/20 0.52
HSD17B10 Q99714 2/20 0.52
USP2 O75604 1/20 0.52
MAPK1 P28482 1/20 0.52
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HPGD P15428 2/20 0.51
KDM4E B2RXH2 1/20 0.49
MAP4K4 O95819 1/20 0.47
CLK2 P49760 1/20 0.47
DYRK1A Q13627 1/20 0.47
SRPK1 Q96SB4 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
CFTR P13569 1/20 0.46
DDR2 Q16832 2/20 0.46
MAOB P27338 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45

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
SCHEMBL2928290 0.92 TRPV1 (0.53) TRPV1NPC1RAB9AMAP4K4CLK2
SCHEMBL2923962 0.89 TRPV1 (0.51) TRPV1LMNAHSD17B10USP2MAPK1
SCHEMBL2931009 0.89 TRPV1 (0.47) TRPV1LMNAHSD17B10USP2MAPK1
SCHEMBL13086097 0.87 TRPV1 (0.49) TRPV1LMNAHSD17B10USP2MAPK1
SCHEMBL2928749 0.86 TRPV1 (0.52) TRPV1LMNAHSD17B10USP2MAPK1
SCHEMBL2931671 0.84 NPC1 (0.49) TRPV1LMNAHSD17B10USP2MAPK1
SCHEMBL7255944 0.83 NPC1 (0.58) TRPV1LMNAHSD17B10USP2MAPK1
SCHEMBL13086268 0.83 TRPV1 (0.49) TRPV1LMNAHSD17B10USP2MAPK1
SCHEMBL2932080 0.82 TRPV1 (0.47) TRPV1NPC1RAB9AMAP4K4CLK2
SCHEMBL2931610 0.81 LMNA (0.44) TRPV1LMNAHSD17B10USP2MAPK1

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 7 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-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
CN-101379060-A Benzoxazole-based derivatives as Aurora kinase inhibitors, compositions, and methods of use TRANSTECH PHARMA INC (US) 2009-03-04 CN disclosed
EP-1987028-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS AURORA KINASE INHIBITORS Transtech Pharma, Inc. (US) 2008-11-05 EP 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 1520/4885HSD17B10 2286/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB TRPV1 3399/4885LMNA 1520/4885HSD17B10 2286/4885

“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.