SCHEMBL1302695

SCHEMBL1302695

Cc1cc(NC(=O)CCNC(=O)Nc2cn3cc(Br)ccc3n2)no1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 1/20 0.46
ALDH1A1 P00352 5/20 0.45
GAA P10253 2/20 0.45
EGFR P00533 1/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.44
PKM P14618 1/20 0.44
GAPDH P04406 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
PIK3CD O00329 2/20 0.43
PIK3CA P42336 2/20 0.43
PIK3CB P42338 2/20 0.43
PIK3CG P48736 2/20 0.43
DYRK3 O43781 1/20 0.43
MAP4K4 O95819 1/20 0.43
CLK2 P49760 1/20 0.43
DYRK1A Q13627 1/20 0.43
MINK1 Q8N4C8 1/20 0.43

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
SCHEMBL1303492 0.81 MAP3K5 (0.55) MAP3K5GAALMNAPIK3CDPIK3CA
SCHEMBL1304155 0.77 MAP3K5 (0.53) MAP3K5PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3709433 0.75 MAP3K5 (0.53) MAP3K5HTTCLK2NPC1RAB9A
SCHEMBL31286840 0.75 MAP3K5 (0.56) MAP3K5ALDH1A1GAAEGFRLMNA
SCHEMBL17065975 0.74 MAP3K5 (0.57) MAP3K5ALDH1A1GAAPIK3CAPIK3CG
SCHEMBL3711325 0.73 MAP3K5 (0.44) MAP3K5ALDH1A1PKMHDAC1HDAC6
SCHEMBL17065991 0.72 MAP3K5 (0.56) MAP3K5ALDH1A1GAAPIK3CAPIK3CG
SCHEMBL1303590 0.72 MAP3K5 (0.47) MAP3K5ALDH1A1GAAPIK3CDPIK3CA
SCHEMBL14247285 0.72 MAP3K5 (0.61) MAP3K5ALDH1A1GAAPIK3CGDYRK1A
SCHEMBL17065980 0.72 MAP3K5 (0.56) MAP3K5ALDH1A1GAAPIK3CAPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2178868-A1 BICYCLIC HETEROARYL COMPOUNDS AND THEIR USE AS KINASE INHIBITORS Novartis Ag (CH) 2010-04-28 EP claimed
WO-2009010530-A1 BICYCLIC HETEROARYL COMPOUNDS AND THEIR USE AS KINASE INHIBITORS NOVARTIS AG (CH) 2009-01-22 WO claimed
US-8053574-B2 Organic compounds NOVARTIS AG (CH) 2011-11-08 US disclosed
US-20100197682-A1 Organic Compounds NOVARTIS AG 2010-08-05 US disclosed
EP-2178868-A1 BICYCLIC HETEROARYL COMPOUNDS AND THEIR USE AS KINASE INHIBITORS Novartis Ag (CH) 2010-04-28 EP disclosed
WO-2009010530-A1 BICYCLIC HETEROARYL COMPOUNDS AND THEIR USE AS KINASE INHIBITORS NOVARTIS AG (CH) 2009-01-22 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-20100197682-A1 Organic Compounds PIK3CA, PI4KA, PI4KB MAP3K5 160/4885ALDH1A1 3568/4885GAA 1082/4885

“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.