SCHEMBL2333459

SCHEMBL2333459

NC(=O)c1cc(-c2ncnc(Nc3cccc(Cl)c3)n2)ccn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.61
CDK1 P06493 4/20 0.61
CCNB2 O95067 1/20 0.61
CDK4 P11802 1/20 0.61
CCNB1 P14635 1/20 0.61
CCNA2 P20248 1/20 0.61
CCND1 P24385 1/20 0.61
CDK2 P24941 1/20 0.61
CCND3 P30281 1/20 0.61
CSNK1A1 P48729 1/20 0.61
CSNK1D P48730 1/20 0.61
CSNK1E P49674 1/20 0.61
CDK7 P50613 1/20 0.61
CCNH P51946 1/20 0.61
CSNK1G2 P78368 1/20 0.61
CCNA1 P78396 1/20 0.61
CDK6 Q00534 1/20 0.61
CDK5 Q00535 1/20 0.61
CDK5R1 Q15078 1/20 0.61
CCNB3 Q8WWL7 1/20 0.61

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
SCHEMBL2325948 0.90 CAMK2D (0.62) KDRCDK1CCNB2CDK4CCNB1
SCHEMBL2324901 0.89 CDK1 (0.61) KDRCDK1CCNB2CDK4CCNB1
SCHEMBL2333336 0.88 CDK1 (0.60) KDRCDK1CCNB2CDK4CCNB1
SCHEMBL2333770 0.87 CDK1 (0.59) KDRCDK1CCNB2CDK4CCNB1
SCHEMBL2333758 0.87 CDK1 (0.59) KDRCDK1CCNB2CDK4CCNB1
SCHEMBL28793346 0.86 CDK1 (0.61) KDRCDK1CCNB2CDK4CCNB1
SCHEMBL3515253 0.84 CAMK2D (0.67) CDK1CDK4CCNB1CCNA2CCND1
SCHEMBL17614050 0.84 CDK1 (0.62) KDRCDK1CCNB2CDK4CCNB1
SCHEMBL2321693 0.83 CDK1 (0.65) KDRCDK1CCNB2CDK4CCNB1
SCHEMBL2333777 0.83 CDK1 (0.60) KDRCDK1CCNB2CDK4CCNB1

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 3 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 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 KDR 3368/4885CDK1 206/4885CCNB2 626/4885

“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.