SCHEMBL918045

SCHEMBL918045

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

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 19/20 0.67
CDK2 P24941 19/20 0.67
CCND1 P24385 16/20 0.67
CDK6 Q00534 16/20 0.67
CCNT1 O60563 7/20 0.67
CDK9 P50750 7/20 0.67
CDK4 P11802 6/20 0.67
CCND3 P30281 1/20 0.61
CCNE2 O96020 1/20 0.60
MAPK14 Q16539 1/20 0.59

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
SCHEMBL3672972 0.95 CCNE1 (0.62) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL4766534 0.95 CCNE1 (0.60) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL3675736 0.95 CCNE1 (0.60) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL3669727 0.95 CCNE1 (0.62) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL3668200 0.95 CCNE1 (0.62) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL3674341 0.94 CCNE1 (0.72) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL917525 0.93 CCNE1 (0.59) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL3680079 0.91 CCNE1 (0.58) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL3677235 0.91 CCNE1 (0.59) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL3673672 0.91 CCNE1 (0.68) 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 12 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-20110021473-A1 INHIBITORS OF PHOSPHODIESTERASE TYPE-IV RANBAXY LABORATORIES LIMITED 2011-01-27 US disclosed
US-20100029728-A1 PHOSPHODIESTERASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2010-02-04 US disclosed
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-20090221664-A1 PHARMACEUTICAL COMPOSITIONS OF MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-09-03 US 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
US-20080207659-A1 INHIBITORS OF PHOSPHODIESTERASE TYPE 4 RANBAXY LABORATORIES LIMITED (IN) 2008-08-28 US disclosed
EP-1958947-A1 Inhibitors of phosphodiesterase type 4 Ranbaxy Laboratories Limited (IN) 2008-08-20 EP 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 (7 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-20080207659-A1 INHIBITORS OF PHOSPHODIESTERASE TYPE 4 PDE4A, PDE4B, PDE4C CCNE1 3442/4885CDK2 827/4885CCND1 3084/4885
US-20090221600-A1 PYRIDO-PYRIDIMIDINE DERIVATIVES USEFUL AS ANTIINFLAMMATORY AGENTS PNPO, TPMT, NOD1 CCNE1 863/4885CDK2 393/4885CCND1 539/4885
US-20090221664-A1 PHARMACEUTICAL COMPOSITIONS OF MUSCARINIC RECEPTOR ANTAGONISTS ADRB2, ADRB1, ADRA2C CCNE1 4437/4885CDK2 1168/4885CCND1 4363/4885
US-20100029728-A1 PHOSPHODIESTERASE INHIBITORS PDE4A, PDE4B, PDE4C CCNE1 3629/4885CDK2 967/4885CCND1 3106/4885
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS PDE4B, PDE4A, PDE3B CCNE1 4327/4885CDK2 944/4885CCND1 4075/4885
US-20110021473-A1 INHIBITORS OF PHOSPHODIESTERASE TYPE-IV PDE4A, PDE4B, PDE4C CCNE1 2955/4885CDK2 912/4885CCND1 3051/4885
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.