SCHEMBL2686394

SCHEMBL2686394

Nc1cc(-c2ccnc(Cl)c2)n[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.54
CCNC P24863 1/20 0.44
CDK8 P49336 1/20 0.44
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
LOX P28300 1/20 0.38
LOXL3 P58215 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
CDK2 P24941 2/20 0.38
CDC7 O00311 1/20 0.38
ROCK2 O75116 1/20 0.38
MAP4K4 O95819 1/20 0.38
MAPKAPK2 P49137 1/20 0.38
GSK3B P49841 1/20 0.38
HIPK2 Q9H2X6 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
PARP10 Q53GL7 1/20 0.37

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
SCHEMBL22191807 0.79 IDO1 (0.54) IDO1MKNK1MKNK2ADORA2ALOXL2
SCHEMBL22191645 0.79 MAP4K4 (0.46) CCNCCDK8MKNK1MKNK2MAP4K4
SCHEMBL30129593 0.79 MAP4K4 (0.46) CCNCCDK8MKNK1MKNK2MAP4K4
SCHEMBL12692668 0.76 PIK3CD (0.50) MKNK1MKNK2
SCHEMBL238785 0.76 MKNK2 (0.47) IDO1MKNK1MKNK2CDK2CDC7
SCHEMBL22191743 0.76 XDH (0.49) MKNK1MKNK2KMOAAK1
SCHEMBL2687849 0.76 PDPK1 (0.40) MKNK1MKNK2CDK2ROCK2AAK1
SCHEMBL26606411 0.76 MAP4K4 (0.49) MKNK1MKNK2CDC7MAP4K4AAK1
SCHEMBL14731247 0.75 HPGD (0.54) IDO1KMO
SCHEMBL27639046 0.74 ALPL (0.63) CCNCCDK8

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889711-B2 Pyrazolopyridine derivatives as anticancer agent PIERRE FABRE MEDICAMENT (FR) 2014-11-18 US disclosed
US-8889711-B2 Pyrazolopyridine derivatives as anticancer agent PIERRE FABRE MEDICAMENT (FR) 2014-11-18 US disclosed
US-8785468-B2 Phenylalanine amide derivatives useful for treating insulin-related diseases and conditions AMGEN INC. (US) 2014-07-22 US disclosed
US-8785468-B2 Phenylalanine amide derivatives useful for treating insulin-related diseases and conditions AMGEN INC. (US) 2014-07-22 US disclosed
US-8785468-B2 Phenylalanine amide derivatives useful for treating insulin-related diseases and conditions AMGEN INC. (US) 2014-07-22 US disclosed
US-20120245170-A1 PYRAZOLOPYRIDINE DERIVATIVES AS ANTICANCER AGENT PIERRE FABRE MEDICAMENT (FR) 2012-09-27 US disclosed
US-20120245170-A1 PYRAZOLOPYRIDINE DERIVATIVES AS ANTICANCER AGENT PIERRE FABRE MEDICAMENT (FR) 2012-09-27 US disclosed
US-20120115811-A1 PHENYLANALINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS AMGEN INC. (US) 2012-05-10 US disclosed
US-20120115811-A1 PHENYLANALINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS AMGEN INC. (US) 2012-05-10 US disclosed
US-20120115811-A1 PHENYLANALINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS AMGEN INC. (US) 2012-05-10 US disclosed
WO-2010093849-A2 PHENYLALANINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS AMGEN INC. (US) 2010-08-19 WO disclosed
WO-2010093849-A2 PHENYLALANINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS AMGEN INC. (US) 2010-08-19 WO disclosed
CN-101405289-A Pyrazolo[1,5-A]pyrimidine derivatives and methods of use thereof WYETH CORP (US) 2009-04-08 CN disclosed
EP-1996594-A2 PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-12-03 EP disclosed
WO-2007109093-A2 PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF WYETH (US) 2007-09-27 WO disclosed
US-20070219186-A1 Pyrazolo[1,5-A]pyrimidine derivatives and methods of use thereof WYETH (US) 2007-09-20 US 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-20120245170-A1 PYRAZOLOPYRIDINE DERIVATIVES AS ANTICANCER AGENT DPYD, TYMP, ABCB1 IDO1 3443/4885CCNC 1129/4885CDK8 903/4885
US-20120115811-A1 PHENYLANALINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS IAPP, INSR, AMY2A IDO1 1061/4885CCNC 3514/4885CDK8 3586/4885
US-20070219186-A1 Pyrazolo[1,5-A]pyrimidine derivatives and methods of use thereof DPYD, TYMP, TYMS IDO1 1350/4885CCNC 924/4885CDK8 300/4885

“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.