SCHEMBL2932380

SCHEMBL2932380

NC(=O)c1nn(CCO)c2cc[c]cc12

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.40
CCNA2 P20248 2/20 0.37
CDK2 P24941 2/20 0.37
CCNA1 P78396 2/20 0.37
ELANE P08246 1/20 0.34
CNR1 P21554 6/20 0.32
CNR2 P34972 3/20 0.32
MAPT P10636 1/20 0.32
CFD P00746 6/20 0.31
ROCK1 Q13464 1/20 0.31
AURKA O14965 1/20 0.31
ADORA3 P0DMS8 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
SCN9A Q15858 1/20 0.30

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
SCHEMBL3816429 0.84 PARP1 (0.37) PARP1ELANECNR1CNR2MAPT
SCHEMBL3841587 0.83 AURKA (0.38) PARP1CCNA2CDK2CCNA1CNR1
SCHEMBL2931203 0.80 KDM4E (0.38) PARP1CCNA2CDK2CCNA1ELANE
SCHEMBL3483191 0.77 GLS (0.43) ADORA2A
SCHEMBL3345159 0.73 CCNA2 (0.36) PARP1CCNA2CDK2CCNA1ELANE
SCHEMBL3343370 0.71 CCNA2 (0.34) PARP1CCNA2CDK2CCNA1ELANE
SCHEMBL3342406 0.71 ELANE (0.40) PARP1CCNA2CDK2CCNA1ELANE
SCHEMBL8400360 0.68 PARP1 (0.57) PARP1ELANECNR1CNR2CFD
SCHEMBL28079256 0.67 ELANE (0.56) PARP1ELANECNR1CNR2CFD
SCHEMBL4215844 0.67 ELANE (0.31) ELANE

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 6 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
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 PARP1 687/4885CCNA2 400/4885CDK2 40/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB PARP1 687/4885CCNA2 400/4885CDK2 40/4885

“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.