SCHEMBL2327984

SCHEMBL2327984

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 3/20 0.40
▸ CAMK2D Q13557 4/20 0.40
▸ CDK5 Q00535 2/20 0.39
▸ CDK5R1 Q15078 2/20 0.39
▸ KDR P35968 2/20 0.39
▸ CCNB2 O95067 1/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ CDK4 P11802 1/20 0.39
▸ CCNB1 P14635 1/20 0.39
▸ CCNA2 P20248 1/20 0.39
▸ CCND1 P24385 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ CCND3 P30281 1/20 0.39
▸ CSNK1A1 P48729 1/20 0.39
▸ CSNK1D P48730 1/20 0.39
▸ CSNK1E P49674 1/20 0.39
▸ CDK7 P50613 1/20 0.39
▸ CCNH P51946 1/20 0.39
▸ CSNK1G2 P78368 1/20 0.39
▸ CCNA1 P78396 1/20 0.39

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
SCHEMBL2331582 0.87 ABL1 (0.39) AURKACAMK2DCDK5CDK5R1KDR
SCHEMBL2322970 0.83 CSNK2A1 (0.35) CDK5CDK5R1KDRCCNB2CDK1
SCHEMBL2327240 0.81 KDR (0.43) CAMK2DCDK5CDK5R1KDRCCNB2
SCHEMBL2325948 0.79 CAMK2D (0.62) AURKACAMK2DCDK5CDK5R1KDR
SCHEMBL2364324 0.77 AURKA (0.38) AURKACAMK2DKDRGSK3BGSK3A
SCHEMBL2325784 0.70 NPC1 (0.58) AURKACAMK2DCDK5CDK5R1KDR
SCHEMBL27112183 0.69 CAMK2D (0.51) AURKACAMK2DCDK5CDK5R1KDR
SCHEMBL14214754 0.69 CDK5 (0.51) CDK5CDK5R1KDRCCNB2CDK1
SCHEMBL2333459 0.69 KDR (0.61) CAMK2DCDK5CDK5R1KDRCCNB2
SCHEMBL2324901 0.69 CDK1 (0.61) CAMK2DCDK5CDK5R1KDRCCNB2

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 disclosed
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 AURKA 1604/4885CAMK2D 4452/4885CDK5 1184/4885

“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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