SCHEMBL13086268

SCHEMBL13086268

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.49
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 2/20 0.46
LMNA P02545 3/20 0.45
HSD17B10 Q99714 2/20 0.45
USP2 O75604 1/20 0.45
MAPK1 P28482 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MAP4K4 O95819 1/20 0.43
CLK2 P49760 1/20 0.43
DYRK1A Q13627 1/20 0.43
SRPK1 Q96SB4 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
DDR2 Q16832 2/20 0.42
CFTR P13569 1/20 0.42
MAOB P27338 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL13086097 0.89 TRPV1 (0.49) TRPV1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL2925829 0.83 TRPV1 (0.53) TRPV1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL14451828 0.81 TRPV1 (0.49) TRPV1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL13086172 0.81 TRPV1 (0.45) TRPV1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL13086098 0.79 UBE2M (0.43) TRPV1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL7255944 0.79 NPC1 (0.58) TRPV1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL13086216 0.78 TRPV1 (0.39) TRPV1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL2931009 0.77 TRPV1 (0.47) TRPV1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL5134877 0.77 TRPV1 (0.41) TRPV1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL13086052 0.77 MET (0.44) 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.