SCHEMBL3674916

SCHEMBL3674916

Cc1ccccc1-c1cc2cnc(NC3CCN(C(=O)NC4CCCCC4)CC3)nc2n(C2CCOCC2)c1=O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.52
MAPK8 P45983 2/20 0.51
MAPK9 P45984 2/20 0.51
MAPK10 P53779 2/20 0.51
LCK P06239 1/20 0.49
CCNE1 P24864 15/20 0.49
CDK2 P24941 15/20 0.49
CCND1 P24385 14/20 0.49
CDK6 Q00534 13/20 0.49
CDK4 P11802 3/20 0.49
CCNT1 O60563 3/20 0.49
CDK9 P50750 3/20 0.49
CCND3 P30281 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
SCHEMBL3670491 0.99 MAPK14 (0.52) MAPK14MAPK8MAPK9MAPK10LCK
SCHEMBL3669372 0.96 MAPK14 (0.56) MAPK14MAPK8MAPK9MAPK10LCK
SCHEMBL3678683 0.96 MAPK14 (0.49) MAPK14MAPK8MAPK9MAPK10LCK
SCHEMBL3679291 0.95 MAPK14 (0.49) MAPK14MAPK8MAPK9MAPK10LCK
SCHEMBL3577496 0.92 MAPK14 (0.46) MAPK14MAPK8MAPK9MAPK10LCK
SCHEMBL3674973 0.92 CCNE1 (0.49) MAPK8MAPK9MAPK10CCNE1CDK2
SCHEMBL3671332 0.92 MAPK14 (0.52) MAPK14MAPK8MAPK9MAPK10LCK
SCHEMBL3677712 0.92 MAPK14 (0.52) MAPK14MAPK8MAPK9MAPK10LCK
SCHEMBL3674165 0.92 MAPK14 (0.52) MAPK14MAPK8MAPK9MAPK10LCK
SCHEMBL3675445 0.92 MAPK14 (0.52) MAPK14MAPK8MAPK9MAPK10LCK

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 7 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-1931667-A1 PYRIDO-PYRIDIMIDINE DERIVATIVES USEFUL AS ANTIINFLAMMATORY AGENTS Ranbaxy Laboratories Limited (IN) 2008-06-18 EP 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 1920/4885MAPK8 1902/4885MAPK9 1561/4885
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS PDE4B, PDE4A, PDE3B MAPK14 136/4885MAPK8 60/4885MAPK9 77/4885
US-20090054382-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS PDE4B, PDE4A, PDE3B MAPK14 136/4885MAPK8 62/4885MAPK9 75/4885

“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.