SCHEMBL4137710

SCHEMBL4137710

CC(=O)N1CC[C@H](n2c(=O)c(-c3ccccc3C)cc3cnc(S(C)(=O)=O)nc32)C1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.40
DYRK1A Q13627 1/20 0.37
EGFR P00533 3/20 0.37
BRD4 O60885 1/20 0.36
CCNE1 P24864 7/20 0.36
CDK2 P24941 7/20 0.36
CCND1 P24385 6/20 0.36
CDK6 Q00534 6/20 0.36
CCNT1 O60563 1/20 0.36
CDK4 P11802 1/20 0.36
CDK9 P50750 1/20 0.36
TNK2 Q07912 1/20 0.35
MTOR P42345 2/20 0.34
MAP4K1 Q92918 1/20 0.34
FGFR4 P22455 1/20 0.34
CSF1R P07333 1/20 0.34
SMYD2 Q9NRG4 1/20 0.34

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 0.86 CCNE1 (0.46) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL4147585 0.85 PIK3CA (0.38) PIK3CADYRK1AEGFRBRD4TNK2
SCHEMBL3669389 0.83 CCNE1 (0.61) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL4722727 0.82 CCNE1 (0.49) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL3673605 0.82 CCNE1 (0.49) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL3669287 0.82 CCNE1 (0.49) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL4147310 0.82 MAPK14 (0.44) PIK3CACCNE1CDK2CCND1CDK6
SCHEMBL4157046 0.81 DRD2 (0.42) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL4151475 0.81 PIK3CA (0.43) PIK3CACCNE1CDK2CCND1CDK6
SCHEMBL3680091 0.81 CCNE1 (0.53) 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 PIK3CA 473/4885DYRK1A 2814/4885EGFR 3067/4885

“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.