SCHEMBL340198

SCHEMBL340198

NCc1cc2nccn2cc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.46
DPP4 P27487 2/20 0.42
MERTK Q12866 6/20 0.39
DYRK1A Q13627 3/20 0.39
AXL P30530 5/20 0.38
FLT3 P36888 5/20 0.38
CHEK1 O14757 1/20 0.36
MAP4K4 O95819 1/20 0.36
CSF1R P07333 1/20 0.36
PRKACA P17612 1/20 0.36
KDR P35968 1/20 0.36
CDK8 P49336 1/20 0.36
MAP2K1 Q02750 1/20 0.36
ACVR1 Q04771 1/20 0.36
MAP4K2 Q12851 1/20 0.36
ROCK1 Q13464 1/20 0.36
AURKB Q96GD4 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36

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
SCHEMBL337911 0.75 KEAP1 (0.42) KEAP1MERTKDYRK1AAXLFLT3
SCHEMBL339578 0.75 DPP4 (0.43) KEAP1DPP4TGFBR1NPC1
SCHEMBL338579 0.75 KEAP1 (0.46) KEAP1MERTKDYRK1AAXLFLT3
SCHEMBL338894 0.73 KEAP1 (0.43) KEAP1DPP4MERTKAXLFLT3
SCHEMBL338931 0.73 KEAP1 (0.40) KEAP1DPP4MERTKDYRK1AAXL
SCHEMBL339046 0.71 KEAP1 (0.38) KEAP1DPP4
SCHEMBL19322369 0.71 AKT1 (0.50) KEAP1DPP4DYRK1ACHEK1MAP4K4
SCHEMBL15376176 0.70 KEAP1 (0.49) KEAP1DYRK1ATGFBR1
SCHEMBL24460391 0.69 GABRA1 (0.45) AXLTGFBR1RETKDM4E
SCHEMBL1576521 0.67 DYRK1A (0.73) KEAP1MERTKDYRK1AAXLFLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077787-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-03-29 US disclosed
US-20120077787-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-03-29 US disclosed
US-20120077787-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-03-29 US disclosed
US-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 US disclosed
US-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 US disclosed
US-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 US disclosed
WO-2007113226-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2007-10-11 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 (2 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-20120077787-A1 ORGANIC COMPOUNDS OAT, GPR119, OTC KEAP1 1121/4885DPP4 120/4885MERTK 2637/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC KEAP1 1121/4885DPP4 120/4885MERTK 2637/4885

“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.