SCHEMBL3675486

SCHEMBL3675486

Cc1ccccc1-c1cc2cnc(NC3CCN(C)CC3)nc2n(C2CCN(Cc3ccccc3)CC2)c1=O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 16/20 0.48
CDK2 P24941 16/20 0.48
CCND1 P24385 13/20 0.48
CDK6 Q00534 13/20 0.48
CCNT1 O60563 5/20 0.48
CDK9 P50750 5/20 0.48
CDK4 P11802 4/20 0.48
LCK P06239 1/20 0.47
MAPK14 Q16539 1/20 0.47
CCND3 P30281 1/20 0.46
KDM1A O60341 1/20 0.44
EHMT2 Q96KQ7 1/20 0.44
RCOR1 Q9UKL0 1/20 0.44
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
TNK2 Q07912 1/20 0.43
RB1 P06400 1/20 0.43
CDK1 P06493 1/20 0.43

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
SCHEMBL3675280 0.94 CCNE1 (0.49) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL3674101 0.91 CCNE1 (0.46) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL3669490 0.91 CDK2 (0.46) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL3581754 0.91 MAPK14 (0.54) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL3670193 0.91 CCNE1 (0.55) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL3670838 0.91 CCNE1 (0.62) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL3673904 0.91 CCNE1 (0.46) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL3677019 0.91 CCNE1 (0.62) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL3669539 0.90 CCNE1 (0.45) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL3669488 0.89 CCNE1 (0.52) CCNE1CDK2CCND1CDK6CCNT1

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 CCNE1 863/4885CDK2 393/4885CCND1 539/4885
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS PDE4B, PDE4A, PDE3B CCNE1 4327/4885CDK2 944/4885CCND1 4075/4885
US-20090054382-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS PDE4B, PDE4A, PDE3B CCNE1 4312/4885CDK2 936/4885CCND1 4031/4885

“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.