SCHEMBL916683

SCHEMBL916683

Cc1ccccc1-c1cc2cnc(NN3CCCCC3)nc2n(C2CCOCC2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.47
LCK P06239 1/20 0.47
CDK2 P24941 12/20 0.44
CCND1 P24385 11/20 0.44
CDK4 P11802 7/20 0.44
CCNA2 P20248 5/20 0.44
TNK2 Q07912 3/20 0.44
FGFR1 P11362 2/20 0.44
FGFR2 P21802 2/20 0.44
FGFR4 P22455 2/20 0.44
FGFR3 P22607 2/20 0.44
CCNE1 P24864 8/20 0.44
CDK6 Q00534 5/20 0.44
CCNT1 O60563 1/20 0.44
CDK9 P50750 1/20 0.44
CCND2 P30279 3/20 0.42
CCND3 P30281 3/20 0.42
CCNA1 P78396 2/20 0.42
MAPK8 P45983 1/20 0.41
MAPK9 P45984 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
SCHEMBL916708 0.92 TNK2 (0.49) MAPK14LCKCDK2CCND1CDK4
SCHEMBL3576421 0.89 MAPK14 (0.46) MAPK14LCKCDK2CCND1CDK4
SCHEMBL3577496 0.88 MAPK14 (0.46) MAPK14LCKCDK2CCND1CDK4
SCHEMBL916495 0.87 CDK2 (0.46) MAPK14LCKCDK2CCND1CDK4
SCHEMBL916496 0.85 CCNE1 (0.42) MAPK14LCKCDK2CCND1CDK4
SCHEMBL917268 0.85 MAPK14 (0.59) MAPK14LCKCDK2CCND1CDK4
SCHEMBL916838 0.85 MAPK14 (0.43) MAPK14LCKCDK2CCND1CDK4
SCHEMBL3677049 0.85 MAPK14 (0.64) MAPK14LCKCDK2CCND1CDK4
SCHEMBL915589 0.84 MAPK14 (0.43) MAPK14LCKCDK2CCND1CDK4
SCHEMBL916228 0.83 MAPK14 (0.59) MAPK14LCKCDK2CCND1CDK4

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-20090221600-A1 PYRIDO-PYRIDIMIDINE DERIVATIVES USEFUL AS ANTIINFLAMMATORY AGENTS RANBAXY LABORATORIES LIMITED (IN) 2009-09-03 US disclosed
US-20090221664-A1 PHARMACEUTICAL COMPOSITIONS OF MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-09-03 US disclosed
EP-2066661-A2 PHOSPHODIESTERASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2009-06-10 EP 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-1948164-A1 PHARMACEUTICAL COMPOSITIONS OF MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES, LTD. (IN) 2008-07-30 EP disclosed
WO-2008035316-A2 PHOSPHODIESTERASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2008-03-27 WO disclosed
WO-2007045979-A1 PHARMACEUTICAL COMPOSITIONS OF MUSCARINIC RECEPTOR ANTAGONISTS 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 847/4885CDK2 827/4885
US-20090221600-A1 PYRIDO-PYRIDIMIDINE DERIVATIVES USEFUL AS ANTIINFLAMMATORY AGENTS PNPO, TPMT, NOD1 MAPK14 1920/4885LCK 469/4885CDK2 393/4885
US-20090221664-A1 PHARMACEUTICAL COMPOSITIONS OF MUSCARINIC RECEPTOR ANTAGONISTS ADRB2, ADRB1, ADRA2C MAPK14 238/4885LCK 348/4885CDK2 1168/4885
US-20100029728-A1 PHOSPHODIESTERASE INHIBITORS PDE4A, PDE4B, PDE4C MAPK14 1715/4885LCK 910/4885CDK2 967/4885
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS PDE4B, PDE4A, PDE3B MAPK14 136/4885LCK 551/4885CDK2 944/4885
US-20110021473-A1 INHIBITORS OF PHOSPHODIESTERASE TYPE-IV PDE4A, PDE4B, PDE4C MAPK14 1108/4885LCK 1680/4885CDK2 912/4885
US-20090054382-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS PDE4B, PDE4A, PDE3B MAPK14 136/4885LCK 590/4885CDK2 936/4885

“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.