SCHEMBL3674973

SCHEMBL3674973

CC(=O)N1CCC(n2c(=O)c(-c3ccccc3C)cc3cnc(NC4CCN(C(=O)NC5CCCCC5)CC4)nc32)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 17/20 0.49
CDK2 P24941 17/20 0.49
CCND1 P24385 16/20 0.49
CDK6 Q00534 15/20 0.49
CDK4 P11802 6/20 0.49
CCNT1 O60563 6/20 0.49
CDK9 P50750 6/20 0.49
CCND3 P30281 1/20 0.45
MAPK8 P45983 1/20 0.44
MAPK9 P45984 1/20 0.44
MAPK10 P53779 1/20 0.44
RB1 P06400 1/20 0.44
CDK1 P06493 1/20 0.44
FGFR1 P11362 1/20 0.44

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
SCHEMBL4156039 0.96 CCNE1 (0.47) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL3677106 0.96 CCNE1 (0.47) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL3682551 0.96 CCNE1 (0.47) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL3673162 0.93 MAPK8 (0.53) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL3669275 0.92 MAPK14 (0.46) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL3673601 0.92 CCNE1 (0.52) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL3674916 0.92 MAPK14 (0.52) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL3678203 0.91 CCNE1 (0.63) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL3670491 0.91 MAPK14 (0.52) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL3667827 0.90 MAPK8 (0.55) CCNE1CDK2CCND1CDK6CDK4

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 5 patents. 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 claimed
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2010-01-07 US disclosed
EP-2111861-A1 Compositions of phosphodiesterase type IV inhibitors Ranbaxy Laboratories Limited (IN) 2009-10-28 EP disclosed
US-20090221600-A1 PYRIDO-PYRIDIMIDINE DERIVATIVES USEFUL AS ANTIINFLAMMATORY AGENTS RANBAXY LABORATORIES LIMITED (IN) 2009-09-03 US disclosed
US-20090054382-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2009-02-26 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 (3 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
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS PDE4B, PDE4A, PDE3B CCNE1 4327/4885CDK2 944/4885CCND1 4075/4885
US-20090054382-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS PDE4B, PDE4A, PDE3B CCNE1 4312/4885CDK2 936/4885CCND1 4031/4885

“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.