SCHEMBL2443952

SCHEMBL2443952

CC(=O)Nc1cccc(Nc2ncnc(-c3ccnc(Cl)c3)n2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.54
▸ AURKB Q96GD4 1/20 0.54
▸ JAK2 O60674 5/20 0.52
▸ SYK P43405 2/20 0.51
▸ MAP3K5 Q99683 1/20 0.50
▸ CCNB2 O95067 1/20 0.50
▸ CDK1 P06493 1/20 0.50
▸ CDK4 P11802 1/20 0.50
▸ CCNB1 P14635 1/20 0.50
▸ CCNA2 P20248 1/20 0.50
▸ CCND1 P24385 1/20 0.50
▸ CDK2 P24941 1/20 0.50
▸ CCND3 P30281 1/20 0.50
▸ KDR P35968 1/20 0.50
▸ CSNK1A1 P48729 1/20 0.50
▸ CSNK1D P48730 1/20 0.50
▸ CSNK1E P49674 1/20 0.50
▸ CDK7 P50613 1/20 0.50
▸ CCNH P51946 1/20 0.50
▸ CSNK1G2 P78368 1/20 0.50

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
SCHEMBL2325784 0.84 NPC1 (0.58) AURKAAURKBSYKCCNB2CDK1
SCHEMBL2321693 0.83 CDK1 (0.65) SYKCCNB2CDK1CDK4CCNB1
SCHEMBL2326760 0.81 CDK1 (0.51) AURKAAURKBJAK2CCNB2CDK1
SCHEMBL2323869 0.81 CDK2 (0.52) JAK2CCNB2CDK1CDK4CCNB1
SCHEMBL27890477 0.80 ABCG2 (0.61) SYKMAP3K5SCN9AKCNH2SCN5A
SCHEMBL2327107 0.80 FGFR2 (0.56) SYKCCNB2CDK1CDK4CCNB1
SCHEMBL2327178 0.80 KDR (0.49) JAK2SYKCCNB2CDK1CDK4
SCHEMBL2330431 0.80 KDR (0.49) JAK2SYKCCNB2CDK1CDK4
SCHEMBL13140870 0.80 CDK1 (0.57) SYKCCNB2CDK1CDK4CCNB1
SCHEMBL3243500 0.80 MAP3K5 (0.60) AURKAAURKBJAK2SYKMAP3K5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102239160-A Substituted (pyridyl) -azinylamine derivatives as fungicides BAYER CROPSCIENCE SA 2011-11-09 — — CN claimed
US-20110218188-A1 SUBSTITUTED (PYRIDYL)-AZINYLAMINE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2011-09-08 — — US claimed
CN-102239160-A Substituted (pyridyl) -azinylamine derivatives as fungicides BAYER CROPSCIENCE SA 2011-11-09 — — CN disclosed
US-20110218188-A1 SUBSTITUTED (PYRIDYL)-AZINYLAMINE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2011-09-08 — — 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 (1 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-20110218188-A1 SUBSTITUTED (PYRIDYL)-AZINYLAMINE DERIVATIVES AS FUNGICIDES CYP1A1, CYP1A2, PNPO AURKA 1604/4885AURKB 3098/4885JAK2 1899/4885

“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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