SCHEMBL2331567

SCHEMBL2331567

Cc1ccc(Nc2ncnc(-c3ccnc(Cl)c3)n2)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.54
▸ NPC1 O15118 3/20 0.54
▸ CDK4 P11802 2/20 0.47
▸ CCNA2 P20248 2/20 0.47
▸ CDK2 P24941 2/20 0.47
▸ CCND3 P30281 2/20 0.47
▸ CCNA1 P78396 2/20 0.47
▸ CDK5 Q00535 2/20 0.47
▸ CDK5R1 Q15078 2/20 0.47
▸ CCNB2 O95067 1/20 0.47
▸ CDK1 P06493 1/20 0.47
▸ CCNB1 P14635 1/20 0.47
▸ CCND1 P24385 1/20 0.47
▸ KDR P35968 1/20 0.47
▸ CSNK1A1 P48729 1/20 0.47
▸ CSNK1D P48730 1/20 0.47
▸ CSNK1E P49674 1/20 0.47
▸ CDK7 P50613 1/20 0.47
▸ CCNH P51946 1/20 0.47
▸ CSNK1G2 P78368 1/20 0.47

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
SCHEMBL2326791 0.85 MAPK1 (0.60) CDK4CCNA2CDK2CCND3CCNA1
SCHEMBL2330631 0.85 KDR (0.46) RAB9ANPC1CDK4CCNA2CDK2
SCHEMBL27824871 0.82 CDK5 (0.52) RAB9ANPC1CDK4CCNA2CDK2
SCHEMBL2327157 0.81 SMN1; SMN2 (0.50) RAB9ANPC1CDK4CCNA2CDK2
SCHEMBL2326760 0.81 CDK1 (0.51) RAB9ANPC1CDK4CCNA2CDK2
SCHEMBL2330481 0.81 KDR (0.46) CDK4CCNA2CDK2CCND3CCNA1
SCHEMBL2443461 0.80 KDR (0.42) RAB9ANPC1CDK4CCNA2CDK2
SCHEMBL2327178 0.80 KDR (0.49) CDK4CCNA2CDK2CCND3CCNA1
SCHEMBL2321693 0.80 CDK1 (0.65) RAB9ANPC1CDK4CCNA2CDK2
SCHEMBL2323869 0.78 CDK2 (0.52) CDK4CCNA2CDK2CCND3CCNA1

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-20110218188-A1 SUBSTITUTED (PYRIDYL)-AZINYLAMINE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2011-09-08 — — US claimed
EP-2356107-A1 SUBSTITUTED (PYRIDYL)-AZINYLAMINE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2011-08-17 — — EP claimed
WO-2010055077-A1 SUBSTITUTED (PYRIDYL)-AZINYLAMINE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2010-05-20 — — WO claimed
US-20110218188-A1 SUBSTITUTED (PYRIDYL)-AZINYLAMINE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2011-09-08 — — US disclosed
EP-2356107-A1 SUBSTITUTED (PYRIDYL)-AZINYLAMINE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2011-08-17 — — EP disclosed
WO-2010055077-A1 SUBSTITUTED (PYRIDYL)-AZINYLAMINE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2010-05-20 — — 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 (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 RAB9A 666/4885NPC1 3866/4885CDK4 790/4885

“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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