SCHEMBL2932210

SCHEMBL2932210

Nc1ccc2c(CN3CCOCC3)n[nH]c2c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ JAK2 O60674 2/20 0.51
▸ AXL P30530 1/20 0.44
▸ CHEK1 O14757 7/20 0.41
▸ CDK7 P50613 5/20 0.41
▸ PDPK1 O15530 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ GRM4 Q14833 1/20 0.39
▸ PARP1 P09874 3/20 0.39
▸ CXCR4 P61073 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL11971273 0.84 HSD17B10 (0.46) MAPTJAK2AXLCHEK1CDK7
SCHEMBL28875476 0.82 JAK2 (0.49) JAK2CHEK1CDK7PARP1
SCHEMBL19639885 0.80 JAK2 (0.42) JAK2CHEK1CDK7PARP1
SCHEMBL2927346 0.79 CTSB (0.53) MAPTJAK2ALDH1A1MEN1KMT2A
SCHEMBL29190556 0.76 MAPK1 (0.54) KDM4EMAPTJAK2AXLPDPK1
SCHEMBL2929620 0.76 CDC7 (0.50) KDM4EMAPTJAK2ALDH1A1HSD17B10
SCHEMBL2928975 0.76 GRM4 (0.49) KDM4EMAPTJAK2CHEK1ALDH1A1
SCHEMBL15687275 0.76 CHEK1 (0.64) KDM4ECHEK1CDK7ALDH1A1KMT2A
SCHEMBL14338764 0.76 HSD17B10 (0.52) MAPTJAK2AXLCHEK1CDK7
SCHEMBL9909105 0.76 JAK2 (0.51) KDM4EMAPTJAK2CHEK1CDK7

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 KDM4E 769/4885MAPT 1464/4885JAK2 634/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB KDM4E 769/4885MAPT 1464/4885JAK2 634/4885

“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.

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