SCHEMBL916901

SCHEMBL916901

Cc1ccccc1-c1cc2cnc(NC3CCN(C(=O)c4ccccc4)CC3)nc2n(C2CCOCC2)c1=O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.52
LCK P06239 1/20 0.51
MAPK8 P45983 1/20 0.47
MAPK9 P45984 1/20 0.47
MAPK10 P53779 1/20 0.47
CCNE1 P24864 14/20 0.47
CDK2 P24941 14/20 0.47
CCND1 P24385 11/20 0.47
CDK6 Q00534 11/20 0.47
CCNT1 O60563 1/20 0.47
CDK4 P11802 1/20 0.47
CDK9 P50750 1/20 0.47
CCNE2 O96020 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
SCHEMBL3673242 0.95 MAPK14 (0.49) MAPK14LCKMAPK8MAPK9MAPK10
SCHEMBL3672757 0.95 MAPK14 (0.49) MAPK14LCKMAPK8MAPK9MAPK10
SCHEMBL3675622 0.94 MAPK14 (0.51) MAPK14LCKMAPK8MAPK9MAPK10
SCHEMBL3576254 0.93 MAPK14 (0.53) MAPK14LCKMAPK8MAPK9MAPK10
SCHEMBL3670797 0.91 CDK2 (0.47) MAPK14CCNE1CDK2CCND1CDK6
SCHEMBL3672409 0.91 CDK2 (0.47) MAPK14LCKCCNE1CDK2CCND1
SCHEMBL917150 0.91 MAPK14 (0.53) MAPK14LCKMAPK8MAPK9MAPK10
SCHEMBL3580995 0.91 MAPK14 (0.53) MAPK14LCKMAPK8MAPK9MAPK10
SCHEMBL3580991 0.91 MAPK14 (0.53) MAPK14LCKMAPK8MAPK9MAPK10
SCHEMBL3679319 0.91 MAPK14 (0.51) MAPK14LCKMAPK8MAPK9MAPK10

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 14 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-1948167-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS RANBAXY LABORATORIES, LTD. (IN) 2008-07-30 EP disclosed
EP-1948164-A1 PHARMACEUTICAL COMPOSITIONS OF MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES, LTD. (IN) 2008-07-30 EP disclosed
WO-2007045979-A1 PHARMACEUTICAL COMPOSITIONS OF MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-04-26 WO disclosed
WO-2007045980-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2007-04-26 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 MAPK14 1599/4885LCK 847/4885MAPK8 1090/4885
US-20090221600-A1 PYRIDO-PYRIDIMIDINE DERIVATIVES USEFUL AS ANTIINFLAMMATORY AGENTS PNPO, TPMT, NOD1 MAPK14 1920/4885LCK 469/4885MAPK8 1902/4885
US-20090221664-A1 PHARMACEUTICAL COMPOSITIONS OF MUSCARINIC RECEPTOR ANTAGONISTS ADRB2, ADRB1, ADRA2C MAPK14 238/4885LCK 348/4885MAPK8 56/4885
US-20100029728-A1 PHOSPHODIESTERASE INHIBITORS PDE4A, PDE4B, PDE4C MAPK14 1715/4885LCK 910/4885MAPK8 1316/4885
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS PDE4B, PDE4A, PDE3B MAPK14 136/4885LCK 551/4885MAPK8 60/4885
US-20110021473-A1 INHIBITORS OF PHOSPHODIESTERASE TYPE-IV PDE4A, PDE4B, PDE4C MAPK14 1108/4885LCK 1680/4885MAPK8 1220/4885
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.