SCHEMBL2931009

SCHEMBL2931009

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.47
LMNA P02545 2/20 0.46
USP2 O75604 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ALDH1A1 P00352 4/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 2/20 0.45
KDM4E B2RXH2 1/20 0.44
MAP4K4 O95819 1/20 0.42
CLK2 P49760 1/20 0.42
DYRK1A Q13627 1/20 0.42
SRPK1 Q96SB4 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
SIRT6 Q8N6T7 1/20 0.42
DDR2 Q16832 1/20 0.41

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
SCHEMBL2932080 0.93 TRPV1 (0.47) TRPV1ALDH1A1KMT2APOLBNPC1
SCHEMBL2932141 0.91 TRPV1 (0.45) TRPV1LMNAUSP2MAPK1HSD17B10
SCHEMBL2926050 0.90 ATR (0.49) TRPV1LMNAUSP2MAPK1HSD17B10
SCHEMBL2925829 0.89 TRPV1 (0.53) TRPV1LMNAUSP2MAPK1HSD17B10
SCHEMBL2930123 0.88 TRPV1 (0.47) TRPV1LMNAUSP2MAPK1HSD17B10
SCHEMBL2927844 0.86 NPC1 (0.43) TRPV1LMNAUSP2MAPK1HSD17B10
SCHEMBL2934928 0.84 LMNA (0.40) TRPV1LMNAUSP2MAPK1HSD17B10
SCHEMBL2933104 0.82 NPC1 (0.46) LMNAUSP2MAPK1HSD17B10ALDH1A1
SCHEMBL2928290 0.82 TRPV1 (0.53) TRPV1POLBNPC1RAB9AMAP4K4
SCHEMBL13086097 0.81 TRPV1 (0.49) TRPV1LMNAUSP2MAPK1HSD17B10

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
CN-102633783-A Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors TRANSTECH PHARMA INC 2012-08-15 CN disclosed
CN-101379060-B Benzoxazole-based derivatives as Aurora kinase inhibitors, compositions, and methods of use TRANSTECH PHARMA INC 2012-05-23 CN 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 1520/4885USP2 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.