SCHEMBL2328075

SCHEMBL2328075

NCc1cc(-c2ncnc(Nc3cccc(CO)c3)n2)ccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 5/20 0.50
CDK1 P06493 5/20 0.50
KDR P35968 4/20 0.50
CDK5 Q00535 3/20 0.50
CDK5R1 Q15078 3/20 0.50
CCNB1 P14635 2/20 0.50
CCNA2 P20248 2/20 0.50
CCNA1 P78396 2/20 0.50
CCNB2 O95067 1/20 0.50
CDK4 P11802 1/20 0.50
CCND1 P24385 1/20 0.50
CCND3 P30281 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
CDK6 Q00534 1/20 0.50
CCNB3 Q8WWL7 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
SCHEMBL27822603 0.87 CDK2 (0.48) CDK2CDK1KDRCDK5CDK5R1
SCHEMBL13140875 0.85 CDK2 (0.46) CDK2CDK1KDRCDK5CDK5R1
SCHEMBL13140870 0.84 CDK1 (0.57) CDK2CDK1KDRCDK5CDK5R1
SCHEMBL2330734 0.84 CDK1 (0.62) CDK2CDK1KDRCDK5CDK5R1
SCHEMBL13140898 0.83 CDK1 (0.64) CDK2CDK1KDRCDK5CDK5R1
SCHEMBL3389517 0.82 CDK2 (0.44) CDK2CDK1KDRCDK5CDK5R1
SCHEMBL13179040 0.82 CDK9 (0.44) CDK2CDK1KDRCDK5CDK5R1
SCHEMBL13140967 0.82 SYK (0.52) CDK2CDK1KDRCDK5CDK5R1
SCHEMBL13140909 0.82 CDK1 (0.67) CDK2CDK1KDRCDK5CDK5R1
SCHEMBL13140876 0.82 CDK1 (0.49) CDK2CDK1KDRCDK5CDK5R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110294810-A1 SUBSTITUTED (PYRIDYL)-AZINYLAMINE DERIVATIVES AS PLANT PROTECTION AGENTS BAYER CROPSCIENCE AG (DE) 2011-12-01 US claimed
EP-2356102-A1 SUBSTITUTED (PYRIDYL)-AZINYLAMINE DERIVATIVES AS PLANT PROTECTION AGENTS Bayer CropScience AG (DE) 2011-08-17 EP claimed
WO-2010055114-A1 SUBSTITUTED (PYRIDYL)-AZINYLAMINE DERIVATIVES AS PLANT PROTECTION AGENTS BAYER CROPSCIENCE SA (FR) 2010-05-20 WO claimed
US-8778919-B2 Cyclic anilino—pyridinotriazines JANSSEN PHARMACEUTICA NV (BE) 2014-07-15 US disclosed
US-8778919-B2 Cyclic anilino—pyridinotriazines JANSSEN PHARMACEUTICA NV (BE) 2014-07-15 US disclosed
US-20110294810-A1 SUBSTITUTED (PYRIDYL)-AZINYLAMINE DERIVATIVES AS PLANT PROTECTION AGENTS BAYER CROPSCIENCE AG (DE) 2011-12-01 US disclosed
EP-2356102-A1 SUBSTITUTED (PYRIDYL)-AZINYLAMINE DERIVATIVES AS PLANT PROTECTION AGENTS Bayer CropScience AG (DE) 2011-08-17 EP disclosed
US-20100222574-A1 CYCLIC ANILINO - PYRIDINOTRIAZINES JANSSEN PHARMACEUTICA N.V. (BE) 2010-09-02 US disclosed
US-20100222574-A1 CYCLIC ANILINO - PYRIDINOTRIAZINES JANSSEN PHARMACEUTICA N.V. (BE) 2010-09-02 US disclosed
WO-2010055114-A1 SUBSTITUTED (PYRIDYL)-AZINYLAMINE DERIVATIVES AS PLANT PROTECTION AGENTS 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 (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-20100222574-A1 CYCLIC ANILINO - PYRIDINOTRIAZINES NR4A1, NR4A2, NR5A2 CDK2 1968/4885CDK1 2040/4885KDR 1248/4885
US-20110294810-A1 SUBSTITUTED (PYRIDYL)-AZINYLAMINE DERIVATIVES AS PLANT PROTECTION AGENTS PRXL2A, AZI2, PIR CDK2 1282/4885CDK1 536/4885KDR 4222/4885

“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.