SCHEMBL129807

SCHEMBL129807

Cn1nc(C#CC(C)(C)O)c2c(N)ncnc21

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 13/20 0.43
▸ PIK3CD O00329 8/20 0.42
▸ PIK3CA P42336 8/20 0.42
▸ PIK3CB P42338 8/20 0.42
▸ PIK3CG P48736 8/20 0.42
▸ PRKDC P78527 6/20 0.42
▸ EGFR P00533 5/20 0.42
▸ HCK P08631 5/20 0.42
▸ SRC P12931 5/20 0.42
▸ MTOR P42345 5/20 0.42
▸ EPHB4 P54760 5/20 0.42
▸ RET P07949 5/20 0.42
▸ KDR P35968 4/20 0.42
▸ PI4KB Q9UBF8 2/20 0.42
▸ NUDT14 O95848 1/20 0.40
▸ NUDT5 Q9UKK9 1/20 0.40
▸ LRRK2 Q5S007 1/20 0.38

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
SCHEMBL130452 0.78 PIK3CD (0.46) ABL1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL22692823 0.74 ABL1 (0.72) ABL1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL19414367 0.72 RET (0.40) ABL1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL10260251 0.71 PIK3CD (0.52) ABL1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL19969970 0.70 KDR (0.41) ABL1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL21362286 0.69 PIK3CD (0.54) ABL1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL130592 0.68 SRC (0.50) ABL1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL869057 0.68 PIK3CD (0.52) ABL1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL12758 0.68 ADORA2A (0.46) ABL1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL19476926 0.68 SRC (0.51) ABL1PIK3CDPIK3CAPIK3CBPIK3CG

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 13 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-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
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 (9 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 ABL1 465/4885PIK3CD 70/4885PIK3CA 143/4885
US-20150320752-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES PRKCA, PRKCH, PRKCB ABL1 334/4885PIK3CD 47/4885PIK3CA 88/4885
US-20120289496-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES PRKCA, PRKCH, PRKCB ABL1 334/4885PIK3CD 47/4885PIK3CA 88/4885
US-20180110783-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES PRKCA, PRKCH, PRKCB ABL1 334/4885PIK3CD 47/4885PIK3CA 88/4885
US-20140080827-A1 NOVEL KINASE MODULATORS PRKCA, PRKCH, PRKCB ABL1 465/4885PIK3CD 70/4885PIK3CA 143/4885
US-20110118257-A1 NOVEL KINASE MODULATORS PRKCA, PRKCH, PRKCB ABL1 465/4885PIK3CD 70/4885PIK3CA 143/4885
US-11858907-B2 Kinase modulators RPS6KA1, RPS6KA2, PRKAR2A ABL1 258/4885PIK3CD 103/4885PIK3CA 144/4885
US-20160318890-A1 NOVEL KINASE MODULATORS PRKCA, PRKCH, PRKCB ABL1 465/4885PIK3CD 70/4885PIK3CA 143/4885
US-20120059001-A1 NOVEL KINASE MODULATORS PRKCA, PRKCH, PRKCB ABL1 465/4885PIK3CD 70/4885PIK3CA 143/4885

“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.

Send feedback