SCHEMBL13400459

SCHEMBL13400459

COc1ccc2nc(SC)ncc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.54
PPARG P37231 1/20 0.49
NCOA2 Q15596 1/20 0.49
NCOA1 Q15788 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NCOA3 Q9Y6Q9 1/20 0.49
NCF1 P14598 1/20 0.47
POLB P06746 2/20 0.45
NPC1 O15118 5/20 0.45
RAB9A P51151 4/20 0.45
NQO1 P15559 1/20 0.45
CASP3 P42574 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
MAPT P10636 2/20 0.45
PDGFRB P09619 2/20 0.44
PDGFRA P16234 2/20 0.44
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 2/20 0.44

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
SCHEMBL1161417 0.77 EGFR (0.59) EGFRNCF1POLBNPC1RAB9A
SCHEMBL3428021 0.76 EGFR (0.57) EGFRPPARGNCOA2NCOA1NPSR1
SCHEMBL3046801 0.76 MAPT (0.40) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL17652985 0.76 ALDH1A1 (0.44) RXFP1RAB9ACASP3MAPTALDH1A1
SCHEMBL13362648 0.76 EGFR (0.57) EGFRNCF1POLBNPC1RAB9A
SCHEMBL1571317 0.76 ALDH1A1 (0.59) EGFRNCF1POLBNPC1RAB9A
SCHEMBL12471318 0.75 EGFR (0.53) EGFRNCF1POLBNPC1RAB9A
Hydrochloric Acid SCHEMBL28269991 0.75 NCF1 (0.57) EGFRNCOA1NCOA3NCF1NPC1
Hydrochloric Acid SCHEMBL28130485 0.75 EGFR (0.56) EGFRPPARGNCOA2NCOA1NPSR1
Hydrochloric Acid SCHEMBL28007029 0.75 ALDH1A1 (0.57) EGFRNCF1POLBNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691866-B2 2,6-disubstituted quinazolines, quinoxalines, quinolines and isoquinolines and methods of their use as inhibitors of Raf kinase NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-04-06 US disclosed
US-7691866-B2 2,6-disubstituted quinazolines, quinoxalines, quinolines and isoquinolines and methods of their use as inhibitors of Raf kinase NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-04-06 US disclosed
US-20090317359-A1 2,6-DISUBSTITUTED QUINAZOLINES, QUINOXALINES, QUINOLINES AND ISOQUINOLINES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2009-12-24 US disclosed
US-20090317359-A1 2,6-DISUBSTITUTED QUINAZOLINES, QUINOXALINES, QUINOLINES AND ISOQUINOLINES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2009-12-24 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 (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-20090317359-A1 2,6-DISUBSTITUTED QUINAZOLINES, QUINOXALINES, QUINOLINES AND ISOQUINOLINES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE RAF1, BRAF, ARAF EGFR 1741/4885PPARG 3768/4885NCOA2 1338/4885

“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.