SCHEMBL928513

SCHEMBL928513

O=c1[nH]c2ccncc2cc1-c1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.46
CCNB2 O95067 1/20 0.43
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
CCNA1 P78396 1/20 0.43
CCNB3 Q8WWL7 1/20 0.43
NPBWR1 P48145 3/20 0.43
GRIA1 P42261 1/20 0.43
GRIA2 P42262 1/20 0.43
GRIA3 P42263 1/20 0.43
GRIA4 P48058 1/20 0.43
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
PKN1 Q16512 1/20 0.40
PKN2 Q16513 1/20 0.40
POLB P06746 1/20 0.40
MAOB P27338 1/20 0.40
NOS1 P29475 1/20 0.40

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
SCHEMBL5046537 0.84 DAO (0.47) DAONPBWR1GRIA1GRIA2GRIA3
SCHEMBL10379015 0.83 DAO (0.50) DAOGRIA1GRIA2GRIA3GRIA4
SCHEMBL5046548 0.80 DAO (0.50) DAOHSD17B10PARP1CYP3A4SMN1; SMN2
SCHEMBL5048118 0.79 DAO (0.44) DAOGRIA1GRIA2GRIA3GRIA4
SCHEMBL928124 0.75 HSD17B10 (0.41) CCNB2CDK1CCNB1CCNA2CDK2
SCHEMBL4328683 0.73 HSD17B10 (0.47) CCNB2CDK1CCNB1CCNA2CDK2
SCHEMBL7079453 0.73 HSD17B10 (0.47) CCNB2CDK1CCNB1CCNA2CDK2
SCHEMBL15668395 0.72 PDE4B (0.44) CCNB2CDK1CCNB1CCNA2CDK2
SCHEMBL15668522 0.69 PDE4B (0.44) CCNB2CDK1CCNB1CCNA2CDK2
SCHEMBL2651033 0.69 CYP19A1 (0.54) CDK2MAPTHSD17B10RAB9APDE4D

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868018-B2 such as N [3-(2-(3-trifluoromethyl)-benzoylamino -[1,6]naphthyridin-3-yl)-2,4-dichloro-phenyl]-3-trifluoromethyl-benzamide, used as antiproliferative agents or for the treatment of autoimmune diseases and nervous system disorders IRM LLC (BM) 2011-01-11 US disclosed
EP-2099797-B1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-09-29 EP disclosed
EP-2099797-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2009-09-16 EP disclosed
US-20080300246-A1 Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2008-12-04 US disclosed
US-7449582-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2008-11-11 US disclosed
WO-2007021795-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2007-02-22 WO disclosed
US-20050187230-A1 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2005-08-25 US 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-20080300246-A1 Compounds and Compositions as Protein Kinase Inhibitors SGK2, BRSK2, FYN DAO 4405/4885CCNB2 1344/4885CDK1 553/4885
US-20050187230-A1 Compounds and compositions as protein kinase inhibitors FYN, LCK, SRC DAO 4167/4885CCNB2 1605/4885CDK1 453/4885

“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.