SCHEMBL130417

SCHEMBL130417

Cn1nc(-c2ccccc2CO)c2c(N)ncnc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 13/20 0.55
PIK3CA P42336 12/20 0.55
PIK3CB P42338 12/20 0.55
PIK3CG P48736 12/20 0.55
PRKDC P78527 12/20 0.55
ABL1 P00519 11/20 0.54
SRC P12931 11/20 0.54
EGFR P00533 10/20 0.54
HCK P08631 9/20 0.54
MTOR P42345 9/20 0.54
EPHB4 P54760 9/20 0.54
KDR P35968 8/20 0.54
NUDT14 O95848 1/20 0.53
NUDT5 Q9UKK9 1/20 0.53
PI4KB Q9UBF8 3/20 0.50
ABL2 P42684 1/20 0.49
PRKD3 O94806 3/20 0.48
PRKD1 Q15139 3/20 0.48
PRKD2 Q9BZL6 3/20 0.48
RIPK2 O43353 1/20 0.48

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
SCHEMBL16655671 0.78 PIK3CD (0.58) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL409367 0.76 PIK3CD (0.82) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL23917209 0.76 PIK3CD (0.63) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL23917528 0.76 PIK3CA (0.61) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL21084183 0.75 PIK3CD (0.56) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL129888 0.75 PIK3CD (0.58) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL129486 0.75 PIK3CD (0.73) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL128451 0.75 PIK3CD (0.53) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL16655792 0.74 ATR (0.64) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL19414364 0.72 SRC (0.43) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858907-B2 Kinase modulators RHIZEN PHARMACEUTICALS AG (CH) 2024-01-02 US disclosed
US-20210317140-A1 Heterocyclic Compounds and Methods of Use MEDIVATION TECHNOLOGIES, INC. (US) 2021-10-14 US disclosed
US-20180110783-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS SA (CH) 2018-04-26 US disclosed
US-9775841-B2 Compounds as modulators of protein kinases RHIZEN PHARMACEUTICALS SA (CH) 2017-10-03 US disclosed
US-20160318890-A1 NOVEL KINASE MODULATORS RHIZEN PHARMACEUTICALS AG (CH) 2016-11-03 US disclosed
US-9421209-B2 Kinase modulators RHIZEN PHARMACEUTICALS SA (CH) 2016-08-23 US disclosed
EP-3050876-A2 KINASE MODULATORS Rhizen Pharmaceuticals S.A. (CH) 2016-08-03 EP disclosed
US-20150320752-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS AG (CH) 2015-11-12 US disclosed
US-20150174131-A1 NOVEL KINASE MODULATORS RHIZEN PHARMACEUTICALS AG (CH) 2015-06-25 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-20120289496-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS SA (CH) 2012-11-15 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 (10 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-20150174131-A1 NOVEL KINASE MODULATORS PRKCA, PRKCH, PRKCB PIK3CD 70/4885PIK3CA 143/4885PIK3CB 33/4885
US-20150320752-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES PRKCA, PRKCH, PRKCB PIK3CD 47/4885PIK3CA 88/4885PIK3CB 23/4885
US-20120289496-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES PRKCA, PRKCH, PRKCB PIK3CD 47/4885PIK3CA 88/4885PIK3CB 23/4885
US-20180110783-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES PRKCA, PRKCH, PRKCB PIK3CD 47/4885PIK3CA 88/4885PIK3CB 23/4885
US-20140080827-A1 NOVEL KINASE MODULATORS PRKCA, PRKCH, PRKCB PIK3CD 70/4885PIK3CA 143/4885PIK3CB 33/4885
US-20110118257-A1 NOVEL KINASE MODULATORS PRKCA, PRKCH, PRKCB PIK3CD 70/4885PIK3CA 143/4885PIK3CB 33/4885
US-20210317140-A1 Heterocyclic Compounds and Methods of Use BTK, PIK3CD, PIK3CB PIK3CD 2/4885PIK3CA 6/4885PIK3CB 3/4885
US-11858907-B2 Kinase modulators RPS6KA1, RPS6KA2, PRKAR2A PIK3CD 103/4885PIK3CA 144/4885PIK3CB 102/4885
US-20160318890-A1 NOVEL KINASE MODULATORS PRKCA, PRKCH, PRKCB PIK3CD 70/4885PIK3CA 143/4885PIK3CB 33/4885
US-20120059001-A1 NOVEL KINASE MODULATORS PRKCA, PRKCH, PRKCB PIK3CD 70/4885PIK3CA 143/4885PIK3CB 33/4885

“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.