SCHEMBL2331582

SCHEMBL2331582

COC(=O)c1cc(-c2ncnc(Nc3ccsc3)n2)ccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.39
▸ BCR P11274 1/20 0.39
▸ SRC P12931 1/20 0.39
▸ PTK2 Q05397 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ SYK P43405 3/20 0.38
▸ KDR P35968 2/20 0.38
▸ CCNB2 O95067 1/20 0.38
▸ CDK1 P06493 1/20 0.38
▸ CDK4 P11802 1/20 0.38
▸ CCNB1 P14635 1/20 0.38
▸ CCNA2 P20248 1/20 0.38
▸ CCND1 P24385 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ CCND3 P30281 1/20 0.38
▸ CSNK1A1 P48729 1/20 0.38

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
SCHEMBL2327984 0.87 AURKA (0.40) ABL1BCRKDM4ESYKKDR
SCHEMBL2322970 0.86 CSNK2A1 (0.35) ABL1BCRSRCPTK2SYK
SCHEMBL2327240 0.79 KDR (0.43) KDRCCNB2CDK1CDK4CCNB1
SCHEMBL2329596 0.74 ALDH1A1 (0.47) KDM4ERAB9AALDH1A1
SCHEMBL2364324 0.72 AURKA (0.38) SYKKDRAURKACAMK2DNPC1
SCHEMBL2323093 0.70 KMT2A (0.45) KDM4EMEN1HPGDKMT2ARAB9A
SCHEMBL30800091 0.70 ALDH1A1 (0.54) KDM4EHPGDALDH1A1
SCHEMBL2324901 0.69 CDK1 (0.61) ABL1BCRSYKKDRCCNB2
SCHEMBL2325948 0.67 CAMK2D (0.62) ABL1BCRKDRCCNB2CDK1
SCHEMBL14214754 0.67 CDK5 (0.51) KDM4EMEN1KMT2AKDRCCNB2

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 ABL1 235/4885BCR 2501/4885SRC 3238/4885

“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.

Send feedback