SCHEMBL2282880

SCHEMBL2282880

Cc1nc2c(s1)-c1nc(Nc3cccc(NS(C)(=O)=O)c3)ncc1CC2

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 18/20 0.72
CCNT1 O60563 17/20 0.72
CDK9 P50750 17/20 0.72
CDK1 P06493 16/20 0.72
CCNB1 P14635 16/20 0.72
CCNE1 P24864 16/20 0.72
CDK7 P50613 14/20 0.72
CCNH P51946 14/20 0.72
CDK4 P11802 12/20 0.72
CCND1 P24385 12/20 0.72
CCNA2 P20248 3/20 0.50
BRD4 O60885 1/20 0.47
JAK1 P23458 1/20 0.44
JAK3 P52333 1/20 0.44
CCND3 P30281 1/20 0.43
FLT3 P36888 1/20 0.43
CDK6 Q00534 1/20 0.43
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43

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
SCHEMBL2286061 0.89 CDK2 (0.69) CDK2CCNT1CDK9CDK1CCNB1
SCHEMBL2430242 0.86 CCNT1 (0.72) CDK2CCNT1CDK9CDK1CCNB1
SCHEMBL11300417 0.84 CDK2 (0.75) CDK2CCNT1CDK9CDK1CCNB1
SCHEMBL1531474 0.84 CDK2 (1.00) CDK2CCNT1CDK9CDK1CCNB1
SCHEMBL2283904 0.83 CDK2 (0.53) CDK2CCNT1CDK9CDK1CCNB1
SCHEMBL1531503 0.83 CDK2 (1.00) CDK2CCNT1CDK9CDK1CCNB1
SCHEMBL1531457 0.82 CDK2 (1.00) CDK2CCNT1CDK9CDK1CCNB1
SCHEMBL2281811 0.82 CDK2 (0.49) CDK2CCNT1CDK9CDK1CCNB1
SCHEMBL2289037 0.81 CDK2 (0.49) CDK2CCNT1CDK9CDK1CCNB1
SCHEMBL2283077 0.80 CDK2 (0.47) CDK2CCNT1CDK9CDK1CCNB1

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 513/4885CDK9 3151/4885
US-20110195968-A1 THIAZOLES AS FUNGICIDES CYP4X1, CYP4Z1, CYP3A4 CDK2 2144/4885CCNT1 528/4885CDK9 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.