SCHEMBL2288481

SCHEMBL2288481

CC(=O)c1cccc(Nc2nccc(-c3cnc(NC(=O)C(F)(F)F)s3)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 3/20 0.52
CCNA2 P20248 3/20 0.52
CDK2 P24941 3/20 0.52
CDK9 P50750 3/20 0.52
CDK1 P06493 2/20 0.52
CCNB1 P14635 2/20 0.52
CDK7 P50613 2/20 0.52
CCNH P51946 2/20 0.52
CCNA1 P78396 2/20 0.52
SYK P43405 4/20 0.51
IKBKB O14920 1/20 0.49
JAK2 O60674 2/20 0.48
ABL1 P00519 7/20 0.46
BCR P11274 7/20 0.46
SRC P12931 4/20 0.46
PRKCA P17252 4/20 0.46
PDGFRB P09619 4/20 0.46
PDGFRA P16234 4/20 0.46
PRKCD Q05655 3/20 0.46
PRKD3 O94806 1/20 0.46

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
SCHEMBL2290538 0.89 JAK2 (0.56) CCNT1CCNA2CDK2CDK9CDK1
SCHEMBL2280988 0.88 CDK2 (0.52) CCNT1CCNA2CDK2CDK9CDK1
SCHEMBL2286299 0.87 CAMK2D (0.54) CCNT1CCNA2CDK2CDK9CDK1
SCHEMBL2287627 0.86 PIK3CG (0.56) CCNT1CCNA2CDK2CDK9CDK1
SCHEMBL2289578 0.81 IKBKB (0.55) CCNT1CCNA2CDK2CDK9CDK1
SCHEMBL2289212 0.81 CCNT1 (0.48) CCNT1CCNA2CDK2CDK9CDK1
SCHEMBL2281253 0.81 CDK2 (0.59) CCNT1CCNA2CDK2CDK9CDK1
SCHEMBL2288202 0.80 CCNT1 (0.50) CCNT1CCNA2CDK2CDK9CDK1
SCHEMBL2284149 0.80 IKBKB (0.53) CCNT1CCNA2CDK2CDK9CDK1
SCHEMBL2286440 0.80 ZAP70 (0.53) CCNT1CCNA2CDK2CDK9CDK1

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 CCNT1 513/4885CCNA2 2012/4885CDK2 2065/4885
US-20110195968-A1 THIAZOLES AS FUNGICIDES CYP4X1, CYP4Z1, CYP3A4 CCNT1 528/4885CCNA2 1963/4885CDK2 2144/4885

“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.