SCHEMBL3679924

SCHEMBL3679924

Cc1ccccc1-c1cc2cnc(NC3CCC3)nc2n([C@@H]2CCOC2)c1=O

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.55
LCK P06239 1/20 0.55
CCNE1 P24864 10/20 0.48
CDK2 P24941 10/20 0.48
CCND1 P24385 8/20 0.48
CDK6 Q00534 8/20 0.48
CDK4 P11802 2/20 0.48
CCNT1 O60563 1/20 0.48
CDK9 P50750 1/20 0.48
MAPK8 P45983 1/20 0.46
MAPK9 P45984 1/20 0.46
MAPK10 P53779 1/20 0.46
FGFR1 P11362 1/20 0.46
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
SCHEMBL3673204 0.96 MAPK14 (0.57) MAPK14LCKCCNE1CDK2CCND1
SCHEMBL917268 0.95 MAPK14 (0.59) MAPK14LCKCCNE1CDK2CCND1
SCHEMBL3671814 0.92 MAPK14 (0.53) MAPK14LCKCCNE1CDK2CCND1
SCHEMBL3674451 0.92 MAPK14 (0.53) MAPK14LCKCCNE1CDK2CCND1
SCHEMBL3677638 0.91 MAPK14 (0.48) MAPK14LCKCCNE1CDK2CCND1
SCHEMBL3675814 0.91 MAPK14 (0.48) MAPK14LCKCCNE1CDK2CCND1
SCHEMBL3672847 0.91 MAPK14 (0.48) MAPK14LCKCCNE1CDK2CCND1
SCHEMBL3677049 0.91 MAPK14 (0.64) MAPK14LCKCCNE1CDK2CCND1
SCHEMBL3669677 0.89 MAPK14 (0.50) MAPK14LCKCCNE1CDK2CCND1
SCHEMBL3672972 0.89 CCNE1 (0.62) 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 MAPK14 1920/4885LCK 469/4885CCNE1 863/4885
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS PDE4B, PDE4A, PDE3B MAPK14 136/4885LCK 551/4885CCNE1 4327/4885
US-20090054382-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS PDE4B, PDE4A, PDE3B MAPK14 136/4885LCK 590/4885CCNE1 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.