SCHEMBL3674693

SCHEMBL3674693

CC(=O)N1CCC(n2c(=O)c(-c3ccccc3C)cc3cnc(NC4CCN(C(=O)Nc5ccc(F)cc5)CC4)nc32)CC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.49
KMT2A Q03164 1/20 0.45
CCNE1 P24864 14/20 0.44
CDK2 P24941 14/20 0.44
CCND1 P24385 10/20 0.44
CDK6 Q00534 10/20 0.44
CCNT1 O60563 2/20 0.44
CDK9 P50750 2/20 0.44
CDK4 P11802 1/20 0.44
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
SCHEMBL3673722 0.96 MAPK14 (0.47) MAPK14KMT2ACCNE1CDK2CCND1
SCHEMBL5180616 0.96 MAPK14 (0.47) MAPK14KMT2ACCNE1CDK2CCND1
SCHEMBL3677279 0.92 MAPK8 (0.51) MAPK14KMT2ACCNE1CDK2CCND1
SCHEMBL3677721 0.92 MAPK14 (0.48) MAPK14KMT2ACCNE1CDK2CCND1
SCHEMBL3671114 0.92 CCNE1 (0.56) MAPK14CCNE1CDK2CCND1CDK6
SCHEMBL3673601 0.90 CCNE1 (0.52) MAPK14CCNE1CDK2CCND1CDK6
SCHEMBL3669704 0.90 MAPK14 (0.50) MAPK14CCNE1CDK2CCND1CDK6
SCHEMBL3679329 0.89 MAPK14 (0.45) MAPK14KMT2ACCNE1CDK2CCND1
SCHEMBL3670735 0.89 MAPK14 (0.45) MAPK14KMT2ACCNE1CDK2CCND1
SCHEMBL3682551 0.88 CCNE1 (0.47) MAPK14CCNE1CDK2CCND1CDK6

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 9 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
EP-1948167-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS RANBAXY LABORATORIES, LTD. (IN) 2008-07-30 EP disclosed
EP-1931667-A1 PYRIDO-PYRIDIMIDINE DERIVATIVES USEFUL AS ANTIINFLAMMATORY AGENTS Ranbaxy Laboratories Limited (IN) 2008-06-18 EP disclosed
WO-2007045980-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2007-04-26 WO disclosed
WO-2007036791-A1 PYRIDO-PYRIDIMIDINE DERIVATIVES USEFUL AS ANTIINFLAMMATORY AGENTS RANBAXY LABORATORIES LIMITED (US) 2007-04-05 WO 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 1920/4885KMT2A 4273/4885CCNE1 863/4885
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS PDE4B, PDE4A, PDE3B MAPK14 136/4885KMT2A 1971/4885CCNE1 4327/4885
US-20090054382-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS PDE4B, PDE4A, PDE3B MAPK14 136/4885KMT2A 1985/4885CCNE1 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.