SCHEMBL2286243

SCHEMBL2286243

CC(CO)Nc1nc2c(s1)-c1nc(Nc3ccc(F)cc3)ncc1CC2

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 18/20 0.56
CDK1 P06493 16/20 0.56
CDK9 P50750 16/20 0.56
CCNT1 O60563 15/20 0.56
CCNB1 P14635 15/20 0.56
CCNE1 P24864 15/20 0.56
CDK7 P50613 15/20 0.56
CCNH P51946 14/20 0.56
CDK4 P11802 14/20 0.56
CCND1 P24385 13/20 0.56
CCNA2 P20248 2/20 0.49
KCNH3 Q9ULD8 2/20 0.46
CA2 P00918 2/20 0.41
KDR P35968 2/20 0.41

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
SCHEMBL2289120 0.91 CDK2 (0.68) CDK2CDK1CDK9CCNT1CCNB1
SCHEMBL2282355 0.90 CDK2 (0.66) CDK2CDK1CDK9CCNT1CCNB1
SCHEMBL2356635 0.89 CDK2 (0.53) CDK2CDK1CDK9CCNT1CCNB1
SCHEMBL2290713 0.88 CDK2 (0.52) CDK2CDK1CDK9CCNT1CCNB1
SCHEMBL2282046 0.88 CDK2 (0.53) CDK2CDK1CDK9CCNT1CCNB1
SCHEMBL2356699 0.87 CDK1 (0.52) CDK2CDK1CDK9CCNT1CCNB1
SCHEMBL2283602 0.87 CDK2 (0.69) CDK2CDK1CDK9CCNT1CCNB1
SCHEMBL2278968 0.84 CDK2 (0.70) CDK2CDK1CDK9CCNT1CCNB1
SCHEMBL2285509 0.84 CDK2 (0.54) CDK2CDK1CDK9CCNT1CCNB1
SCHEMBL2284190 0.83 CDK2 (0.56) CDK2CDK1CDK9CCNT1CCNB1

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 2065/4885CDK1 793/4885CDK9 3151/4885
US-20110195968-A1 THIAZOLES AS FUNGICIDES CYP4X1, CYP4Z1, CYP3A4 CDK2 2144/4885CDK1 857/4885CDK9 3311/4885

“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.