SCHEMBL916708

SCHEMBL916708

Cc1ccccc1-c1cc2cnc(NN3CCN(C)CC3)nc2n(C2CCOCC2)c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 12/20 0.49
MAPK14 Q16539 2/20 0.48
LCK P06239 1/20 0.48
CNR2 P34972 2/20 0.46
CDK4 P11802 4/20 0.42
CCND1 P24385 4/20 0.42
CDK2 P24941 3/20 0.42
FGFR1 P11362 2/20 0.42
CCNA2 P20248 2/20 0.42
CCNT1 O60563 2/20 0.42
CCNE1 P24864 2/20 0.42
CDK9 P50750 2/20 0.42
CDK6 Q00534 2/20 0.42
PIK3CD O00329 1/20 0.42
PRKAB2 O43741 1/20 0.42
NUAK1 O60285 1/20 0.42
ABL1 P00519 1/20 0.42
FYN P06241 1/20 0.42
CDK1 P06493 1/20 0.42
CSF1R P07333 1/20 0.42

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
SCHEMBL916683 0.92 MAPK14 (0.47) TNK2MAPK14LCKCDK4CCND1
SCHEMBL3576421 0.90 MAPK14 (0.46) TNK2MAPK14LCKCDK4CCND1
SCHEMBL916495 0.88 CDK2 (0.46) TNK2MAPK14LCKCDK4CCND1
SCHEMBL916228 0.88 MAPK14 (0.59) TNK2MAPK14LCKCDK4CCND1
SCHEMBL916496 0.86 CCNE1 (0.42) TNK2MAPK14LCKCDK4CCND1
SCHEMBL3577496 0.85 MAPK14 (0.46) TNK2MAPK14LCKCDK4CCND1
SCHEMBL915589 0.85 MAPK14 (0.43) TNK2MAPK14LCKCDK4CCND1
SCHEMBL916838 0.84 MAPK14 (0.43) TNK2MAPK14LCKCDK4CCND1
SCHEMBL3677049 0.84 MAPK14 (0.64) MAPK14LCKCDK4CCND1CDK2
SCHEMBL917268 0.83 MAPK14 (0.59) MAPK14LCKCDK4CCND1CDK2

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 18 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
EP-2086948-A2 INHIBITORS OF PHOSPHODIESTERASE TYPE-IV Ranbaxy Laboratories Limited (IN) 2009-08-12 EP 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
EP-1931667-A1 PYRIDO-PYRIDIMIDINE DERIVATIVES USEFUL AS ANTIINFLAMMATORY AGENTS Ranbaxy Laboratories Limited (IN) 2008-06-18 EP disclosed
WO-2008035316-A2 PHOSPHODIESTERASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2008-03-27 WO disclosed
WO-2008035315-A2 INHIBITORS OF PHOSPHODIESTERASE TYPE-IV 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
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 TNK2 362/4885MAPK14 1599/4885LCK 847/4885
US-20090221600-A1 PYRIDO-PYRIDIMIDINE DERIVATIVES USEFUL AS ANTIINFLAMMATORY AGENTS PNPO, TPMT, NOD1 TNK2 1379/4885MAPK14 1920/4885LCK 469/4885
US-20090221664-A1 PHARMACEUTICAL COMPOSITIONS OF MUSCARINIC RECEPTOR ANTAGONISTS ADRB2, ADRB1, ADRA2C TNK2 673/4885MAPK14 238/4885LCK 348/4885
US-20100029728-A1 PHOSPHODIESTERASE INHIBITORS PDE4A, PDE4B, PDE4C TNK2 280/4885MAPK14 1715/4885LCK 910/4885
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS PDE4B, PDE4A, PDE3B TNK2 340/4885MAPK14 136/4885LCK 551/4885
US-20110021473-A1 INHIBITORS OF PHOSPHODIESTERASE TYPE-IV PDE4A, PDE4B, PDE4C TNK2 527/4885MAPK14 1108/4885LCK 1680/4885
US-20090054382-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS PDE4B, PDE4A, PDE3B TNK2 365/4885MAPK14 136/4885LCK 590/4885

“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.