SCHEMBL217790

SCHEMBL217790

CCOc1ccc(-c2n[nH]c3ncnc(N)c23)cc1F

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 15/20 0.49
SRC P12931 15/20 0.49
PIK3CD O00329 14/20 0.49
HCK P08631 14/20 0.49
EGFR P00533 13/20 0.49
KDR P35968 13/20 0.49
PIK3CA P42336 13/20 0.49
PIK3CB P42338 13/20 0.49
MTOR P42345 13/20 0.49
PIK3CG P48736 13/20 0.49
EPHB4 P54760 13/20 0.49
PRKDC P78527 13/20 0.49
PI4KB Q9UBF8 12/20 0.49
FAAH O00519 1/20 0.40
TRPA1 O75762 1/20 0.38
KDM1A O60341 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
SCHEMBL11306 0.88 SRC (0.47) ABL1SRCPIK3CDHCKEGFR
SCHEMBL16665685 0.86 PIK3CD (0.67) ABL1SRCPIK3CDHCKEGFR
SCHEMBL13826606 0.85 PIK3CD (0.47) ABL1SRCPIK3CDHCKEGFR
SCHEMBL13717800 0.85 CSNK1E (0.45) ABL1SRCPIK3CDHCKEGFR
SCHEMBL13717774 0.83 PIK3CD (0.41) ABL1SRCPIK3CDHCKEGFR
SCHEMBL3235988 0.82 EGFR (0.45) EGFR
SCHEMBL22692856 0.81 ERBB2 (0.50) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL10811 0.81 SRC (0.57) ABL1SRCPIK3CDHCKEGFR
SCHEMBL19414293 0.80 ALDH1A1 (0.50) ABL1SRCPIK3CDHCKEGFR
SCHEMBL20093454 0.80 SRC (0.61) ABL1SRCPIK3CDHCKEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160318890-A1 NOVEL KINASE MODULATORS RHIZEN PHARMACEUTICALS AG (CH) 2016-11-03 US disclosed
US-20150320752-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS AG (CH) 2015-11-12 US disclosed
US-9018375-B2 Substituted chromenes as kinase modulators RHIZEN PHARMACEUTICALS SA (CH) 2015-04-28 US disclosed
US-20140080827-A1 NOVEL KINASE MODULATORS RHIZEN PHARMACEUTICALS SA (CH) 2014-03-20 US disclosed
US-8642607-B2 4H-chromen-4-one compounds as modulators of protein kinases RHIZEN PHARMACEUTICALS SA (CH) 2014-02-04 US disclosed
US-20120059001-A1 NOVEL KINASE MODULATORS INCOZEN THERAPEUTICS PVT. LTD. (IN) 2012-03-08 US disclosed
US-20110118257-A1 NOVEL KINASE MODULATORS RHIZEN PHARMACEUTICALS SA (CH) 2011-05-19 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 (5 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-20150320752-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES PRKCA, PRKCH, PRKCB ABL1 334/4885SRC 285/4885PIK3CD 47/4885
US-20140080827-A1 NOVEL KINASE MODULATORS PRKCA, PRKCH, PRKCB ABL1 465/4885SRC 314/4885PIK3CD 70/4885
US-20110118257-A1 NOVEL KINASE MODULATORS PRKCA, PRKCH, PRKCB ABL1 465/4885SRC 314/4885PIK3CD 70/4885
US-20160318890-A1 NOVEL KINASE MODULATORS PRKCA, PRKCH, PRKCB ABL1 465/4885SRC 314/4885PIK3CD 70/4885
US-20120059001-A1 NOVEL KINASE MODULATORS PRKCA, PRKCH, PRKCB ABL1 465/4885SRC 314/4885PIK3CD 70/4885

“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.