SCHEMBL2280988

SCHEMBL2280988

O=C(Nc1ncc(-c2ccnc(Nc3cccc(O)c3)n2)s1)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 8/20 0.52
CCNT1 O60563 4/20 0.52
CCNA2 P20248 4/20 0.52
CDK9 P50750 4/20 0.52
CDK1 P06493 4/20 0.52
CCNB1 P14635 3/20 0.52
CDK7 P50613 3/20 0.52
CCNH P51946 3/20 0.52
CCNA1 P78396 3/20 0.52
CDK4 P11802 2/20 0.50
SYK P43405 6/20 0.46
IKBKB O14920 1/20 0.45
PLK1 P53350 4/20 0.43
KDR P35968 2/20 0.43
AURKB Q96GD4 2/20 0.43
PTK2 Q05397 1/20 0.43
ABL1 P00519 3/20 0.42
MAPK8 P45983 3/20 0.42
CHEK1 O14757 2/20 0.42
PAK4 O96013 2/20 0.42

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
SCHEMBL2286299 0.89 CAMK2D (0.54) CDK2CCNT1CCNA2CDK9CDK1
SCHEMBL2288481 0.88 CCNT1 (0.52) CDK2CCNT1CCNA2CDK9CDK1
SCHEMBL2283438 0.87 CDK2 (0.56) CDK2CCNT1CCNA2CDK9CDK1
SCHEMBL2287627 0.87 PIK3CG (0.56) CDK2CCNT1CCNA2CDK9CDK1
SCHEMBL27720319 0.86 CDK2 (0.52) CDK2CCNT1CCNA2CDK9CDK1
SCHEMBL27153366 0.80 AURKA (0.53) CDK2CCNT1CCNA2CDK9CDK1
SCHEMBL2286440 0.80 ZAP70 (0.53) CDK2CCNT1CCNA2CDK9CDK1
SCHEMBL2287317 0.80 CDK2 (0.56) CDK2CCNT1CCNA2CDK9CDK1
SCHEMBL2285468 0.80 CDK2 (0.58) CDK2CCNT1CCNA2CDK9CDK1
SCHEMBL2284400 0.78 CDK2 (0.68) CDK2CCNT1CCNA2CDK9CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110195968-A1 THIAZOLES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2011-08-11 US disclosed
US-20090030024-A1 THIAZOLES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2009-01-29 US 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-20090030024-A1 THIAZOLES AS FUNGICIDES CYP4X1, CYP4Z1, RDX CDK2 2065/4885CCNT1 513/4885CCNA2 2012/4885
US-20110195968-A1 THIAZOLES AS FUNGICIDES CYP4X1, CYP4Z1, CYP3A4 CDK2 2144/4885CCNT1 528/4885CCNA2 1963/4885

“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.