SCHEMBL1350832

SCHEMBL1350832

NCc1ccc(-c2nc3nc(N)ncc3cc2-c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 13/20 0.53
ADORA2A P29274 8/20 0.53
EGFR P00533 1/20 0.50
PDGFRB P09619 1/20 0.50
FGFR1 P11362 1/20 0.50
SRC P12931 1/20 0.50
PDGFRA P16234 1/20 0.50
FGFR2 P21802 1/20 0.50
FGFR4 P22455 1/20 0.50
FGFR3 P22607 1/20 0.50
AKT1 P31749 3/20 0.48
AKT2 P31751 3/20 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
Trifluoroacetic Acid SCHEMBL1351970 0.90 FGFR1 (0.53) ADORA1ADORA2AEGFRPDGFRBFGFR1
SCHEMBL1352278 0.86 AKT1 (0.49) ADORA1ADORA2AAKT1AKT2
SCHEMBL1352126 0.83 MERTK (0.52) AKT1AKT2
SCHEMBL1351256 0.82 AKT1 (0.53) AKT1AKT2
Hydrochloric Acid SCHEMBL1350128 0.81 AKT1 (0.52) AKT1AKT2
SCHEMBL1351180 0.79 AKT1 (0.56) AKT1AKT2
SCHEMBL1350735 0.79 AKT1 (0.52) ADORA1ADORA2AAKT1AKT2
Trifluoroacetic Acid SCHEMBL1350248 0.79 AKT1 (0.48) ADORA1ADORA2AEGFRPDGFRBFGFR1
Hydrochloric Acid SCHEMBL1350035 0.78 AKT1 (0.51) AKT1AKT2
SCHEMBL1351404 0.78 AKT1 (0.59) AKT1AKT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2391623-A1 INHIBITORS OF AKT ACTIVITY Merck Sharp & Dohme Corp. (US) 2011-12-07 EP claimed
US-20110288090-A1 Inhibitors of AKT Activity MERCK SHARP & DOHME CORP. 2011-11-24 US claimed
WO-2010088177-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME CORP. (US) 2010-08-05 WO claimed
EP-2391623-A1 INHIBITORS OF AKT ACTIVITY Merck Sharp & Dohme Corp. (US) 2011-12-07 EP disclosed
US-20110288090-A1 Inhibitors of AKT Activity MERCK SHARP & DOHME CORP. 2011-11-24 US disclosed
US-20110288090-A1 Inhibitors of AKT Activity MERCK SHARP & DOHME CORP. 2011-11-24 US disclosed
US-20110288090-A1 Inhibitors of AKT Activity MERCK SHARP & DOHME CORP. 2011-11-24 US disclosed
WO-2010088177-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME CORP. (US) 2010-08-05 WO disclosed
WO-2010088177-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME CORP. (US) 2010-08-05 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 (1 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-20110288090-A1 Inhibitors of AKT Activity PIK3CD, PIK3CA, PIK3CG ADORA1 2806/4885ADORA2A 2150/4885EGFR 455/4885

“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.