SCHEMBL3676936

SCHEMBL3676936

Cc1ccccc1-c1cc2cnc(NC3CCNCC3)nc2n(C2CCN(C)CC2)c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 13/20 0.49
CCND1 P24385 11/20 0.49
CCNE1 P24864 10/20 0.49
CDK6 Q00534 8/20 0.49
CDK4 P11802 5/20 0.49
CCNT1 O60563 2/20 0.49
CDK9 P50750 2/20 0.49
LCK P06239 1/20 0.48
MAPK14 Q16539 1/20 0.48
MAPK8 P45983 2/20 0.47
CCNA2 P20248 3/20 0.46
FGFR1 P11362 3/20 0.46
FGFR2 P21802 2/20 0.46
FGFR4 P22455 2/20 0.46
FGFR3 P22607 2/20 0.46
MAPK7 Q13164 1/20 0.45
CCND3 P30281 2/20 0.45
CCND2 P30279 1/20 0.45
CCNA1 P78396 1/20 0.45
TNK2 Q07912 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
SCHEMBL3673411 0.94 MAPK8 (0.51) CDK2CCND1CCNE1CDK6CDK4
SCHEMBL3671453 0.90 CCNE1 (0.64) CDK2CCND1CCNE1CDK6CDK4
SCHEMBL3675647 0.90 CDK2 (0.47) CDK2CCND1CCNE1CDK6CDK4
SCHEMBL917926 0.90 MAPK14 (0.56) CDK2CCND1CCNE1CDK6CDK4
SCHEMBL3678898 0.89 CCNE1 (0.59) CDK2CCND1CCNE1CDK6CDK4
SCHEMBL3669490 0.88 CDK2 (0.46) CDK2CCND1CCNE1CDK6CDK4
SCHEMBL916228 0.88 MAPK14 (0.59) CDK2CCND1CCNE1CDK6CDK4
SCHEMBL3679931 0.88 CDK2 (0.44) CDK2CCND1CCNE1CDK6CDK4
SCHEMBL3674447 0.87 CCNE1 (0.49) CDK2CCND1CCNE1CDK6CDK4
SCHEMBL3673672 0.87 CCNE1 (0.68) CDK2CCND1CCNE1CDK6CDK4

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 CDK2 393/4885CCND1 539/4885CCNE1 863/4885
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS PDE4B, PDE4A, PDE3B CDK2 944/4885CCND1 4075/4885CCNE1 4327/4885
US-20090054382-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS PDE4B, PDE4A, PDE3B CDK2 936/4885CCND1 4031/4885CCNE1 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.