SCHEMBL4157046

SCHEMBL4157046

Cc1ccccc1-c1cc2cnc(S(C)(=O)=O)nc2n(C2CCN(Cc3ccccc3)CC2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.42
DRD4 P21917 11/20 0.42
DRD3 P35462 10/20 0.42
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38
CCNT1 O60563 1/20 0.38
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
CDK9 P50750 1/20 0.38
CDK6 Q00534 1/20 0.38
SCN1A P35498 1/20 0.38

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
SCHEMBL4153889 0.84 CCNE1 (0.46) CCNT1CDK4CCND1CCNE1CDK2
SCHEMBL4147310 0.83 MAPK14 (0.44) CCNT1CDK4CCND1CCNE1CDK2
SCHEMBL3677019 0.83 CCNE1 (0.62) CCNT1CDK4CCND1CCNE1CDK2
SCHEMBL3670838 0.83 CCNE1 (0.62) CCNT1CDK4CCND1CCNE1CDK2
SCHEMBL3675280 0.82 CCNE1 (0.49) CCNT1CDK4CCND1CCNE1CDK2
SCHEMBL3670193 0.81 CCNE1 (0.55) CCNT1CDK4CCND1CCNE1CDK2
SCHEMBL4137710 0.81 PIK3CA (0.40) CCNT1CDK4CCND1CCNE1CDK2
SCHEMBL3675486 0.81 CCNE1 (0.48) BCHEACHECCNT1CDK4CCND1
SCHEMBL3669488 0.80 CCNE1 (0.52) CCNT1CDK4CCND1CCNE1CDK2
SCHEMBL3669490 0.80 CDK2 (0.46) BCHEACHECCNT1CDK4CCND1

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 DRD2 1844/4885DRD4 1534/4885DRD3 2147/4885

“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.