SCHEMBL2931491

SCHEMBL2931491

O=[N+]([O-])c1ccc2c(NCCN3CCOCC3)n[nH]c2c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.51
▸ PKM P14618 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ ALDH1A1 P00352 4/20 0.50
▸ LMNA P02545 2/20 0.49
▸ MAPK1 P28482 1/20 0.47
▸ CDC7 O00311 1/20 0.47
▸ HTT P42858 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ PIK3CA P42336 2/20 0.45
▸ MTOR P42345 2/20 0.45
▸ GAA P10253 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.44
▸ APOBEC3G Q9HC16 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.43
▸ KIT P10721 1/20 0.43
▸ FLT3 P36888 1/20 0.43
▸ CTSB P07858 1/20 0.43

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
SCHEMBL4782351 0.89 LMNA (0.43) MAPTPKMALDH1A1LMNASMN1; SMN2
SCHEMBL2929620 0.81 CDC7 (0.50) MAPTPOLBALDH1A1LMNAMAPK1
SCHEMBL4785547 0.81 CDK2 (0.48) MAPTPKMPOLBALDH1A1LMNA
SCHEMBL2927346 0.79 CTSB (0.53) MAPTPKMPOLBALDH1A1LMNA
SCHEMBL2924155 0.79 MAPT (0.48) MAPTPKMPOLBALDH1A1LMNA
SCHEMBL10368879 0.78 CDC7 (0.61) MAPTPOLBALDH1A1LMNAMAPK1
SCHEMBL2931312 0.75 MELK (0.48) MAPTPKMPOLBALDH1A1LMNA
SCHEMBL30833685 0.75 MAPK1 (0.52) MAPTPOLBALDH1A1LMNAMAPK1
SCHEMBL29190669 0.75 MAPK1 (0.52) MAPTPOLBALDH1A1LMNAMAPK1
SCHEMBL31154137 0.74 TSHR (0.64) MAPTPKMPOLBALDH1A1LMNA

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 MAPT 1464/4885PKM 628/4885POLB 1990/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB MAPT 1464/4885PKM 628/4885POLB 1990/4885

“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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