SCHEMBL3671814

SCHEMBL3671814

Cc1ccccc1-c1cc2cnc(NC3CCNCC3)nc2n([C@H]2CCOC2)c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.53
LCK P06239 1/20 0.53
MAPK8 P45983 5/20 0.46
CCND1 P24385 5/20 0.44
CDK6 Q00534 5/20 0.44
CCNE1 P24864 4/20 0.44
CDK2 P24941 4/20 0.44
CDK4 P11802 3/20 0.44
CCNT1 O60563 1/20 0.44
CDK9 P50750 1/20 0.44
CCND3 P30281 2/20 0.43
MAPK9 P45984 2/20 0.42
MAPK10 P53779 2/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
KMT2A Q03164 1/20 0.42
PAK1 Q13153 1/20 0.41
PAK2 Q13177 1/20 0.41

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
SCHEMBL3674451 1.00 MAPK14 (0.53) MAPK14LCKMAPK8CCND1CDK6
SCHEMBL3677007 0.95 MAPK14 (0.49) MAPK14LCKMAPK8CCND1CDK6
SCHEMBL917926 0.95 MAPK14 (0.56) MAPK14LCKMAPK8CCND1CDK6
SCHEMBL3673204 0.94 MAPK14 (0.57) MAPK14LCKMAPK8CCND1CDK6
SCHEMBL3679924 0.92 MAPK14 (0.55) MAPK14LCKMAPK8CCND1CDK6
SCHEMBL3673411 0.90 MAPK8 (0.51) MAPK14LCKMAPK8CCND1CDK6
SCHEMBL3677638 0.90 MAPK14 (0.48) MAPK14LCKMAPK8CCND1CDK6
SCHEMBL3675814 0.90 MAPK14 (0.48) MAPK14LCKMAPK8CCND1CDK6
SCHEMBL3672847 0.90 MAPK14 (0.48) MAPK14LCKMAPK8CCND1CDK6
SCHEMBL4139172 0.90 MAPK14 (0.53) MAPK14LCKMAPK8CCND1CDK6

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 469/4885MAPK8 1902/4885
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS PDE4B, PDE4A, PDE3B MAPK14 136/4885LCK 551/4885MAPK8 60/4885
US-20090054382-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS PDE4B, PDE4A, PDE3B MAPK14 136/4885LCK 590/4885MAPK8 62/4885

“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.