SCHEMBL4153889

SCHEMBL4153889

Cc1ccccc1-c1cc2cnc(S(C)(=O)=O)nc2n([C@H]2CCN(S(C)(=O)=O)C2)c1=O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 19/20 0.46
CDK2 P24941 19/20 0.46
CCND1 P24385 18/20 0.46
CDK6 Q00534 18/20 0.46
CCNT1 O60563 4/20 0.46
CDK9 P50750 4/20 0.46
CDK4 P11802 3/20 0.46
CCND3 P30281 1/20 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
SCHEMBL4145055 0.87 CCNE1 (0.44) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL4137710 0.86 PIK3CA (0.40) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL3669459 0.85 CCNE1 (0.67) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL4147310 0.85 MAPK14 (0.44) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL4157046 0.84 DRD2 (0.42) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL4151475 0.83 PIK3CA (0.43) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL3678898 0.82 CCNE1 (0.59) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL3674341 0.81 CCNE1 (0.72) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL4138454 0.80 CCNE1 (0.58) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL3673672 0.80 CCNE1 (0.68) CCNE1CDK2CCND1CDK6CCNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221600-A1 PYRIDO-PYRIDIMIDINE DERIVATIVES USEFUL AS ANTIINFLAMMATORY AGENTS RANBAXY LABORATORIES LIMITED (IN) 2009-09-03 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 (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-20090221600-A1 PYRIDO-PYRIDIMIDINE DERIVATIVES USEFUL AS ANTIINFLAMMATORY AGENTS PNPO, TPMT, NOD1 CCNE1 863/4885CDK2 393/4885CCND1 539/4885

“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.