SCHEMBL3677941

SCHEMBL3677941

CC(=O)N1CC[C@H](n2c(=O)c(-c3ccccc3C)cc3cnc(NC4CCN(C(=O)c5ccc(F)cc5)CC4)nc32)C1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.48
CDK2 P24941 17/20 0.43
CCNE1 P24864 10/20 0.43
CCND1 P24385 7/20 0.43
CDK6 Q00534 7/20 0.43
CCNA2 P20248 7/20 0.43
CDK7 P50613 7/20 0.43
CCNH P51946 7/20 0.43
MNAT1 P51948 7/20 0.43
CCNK O75909 4/20 0.43
CDK12 Q9NYV4 4/20 0.43
CCNT1 O60563 1/20 0.43
CDK4 P11802 1/20 0.43
CDK9 P50750 1/20 0.43
MAPK8 P45983 1/20 0.42

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
SCHEMBL3674729 1.00 MAPK14 (0.48) MAPK14CDK2CCNE1CCND1CDK6
SCHEMBL3669704 0.96 MAPK14 (0.50) MAPK14CDK2CCNE1CCND1CDK6
SCHEMBL4765796 0.94 CDK2 (0.45) MAPK14CDK2CCNE1CCND1CDK6
SCHEMBL3677074 0.94 CDK2 (0.45) MAPK14CDK2CCNE1CCND1CDK6
SCHEMBL3674104 0.94 CDK2 (0.45) MAPK14CDK2CCNE1CCND1CDK6
SCHEMBL4722727 0.91 CCNE1 (0.49) MAPK14CDK2CCNE1CCND1CDK6
SCHEMBL3673605 0.91 CCNE1 (0.49) MAPK14CDK2CCNE1CCND1CDK6
SCHEMBL3669287 0.91 CCNE1 (0.49) MAPK14CDK2CCNE1CCND1CDK6
SCHEMBL3670797 0.90 CDK2 (0.47) MAPK14CDK2CCNE1CCND1CDK6
SCHEMBL3673722 0.90 MAPK14 (0.47) MAPK14CDK2CCNE1CCND1CDK6

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 MAPK14 1920/4885CDK2 393/4885CCNE1 863/4885
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS PDE4B, PDE4A, PDE3B MAPK14 136/4885CDK2 944/4885CCNE1 4327/4885
US-20090054382-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS PDE4B, PDE4A, PDE3B MAPK14 136/4885CDK2 936/4885CCNE1 4312/4885

“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.