SCHEMBL1303399

SCHEMBL1303399

CCn1nnc(CNC(=O)Nc2cn3cc(Br)ccc3n2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 4/20 0.46
METTL3 Q86U44 2/20 0.36
RAB9A P51151 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
TSHR P16473 1/20 0.36
NPC1 O15118 3/20 0.35
PIK3CG P48736 2/20 0.35
ROCK2 O75116 1/20 0.35
PIK3CA P42336 3/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CB P42338 1/20 0.34
CLK1 P49759 1/20 0.34
CLK2 P49760 1/20 0.34
PI4KB Q9UBF8 1/20 0.34

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
SCHEMBL1302670 0.90 MAP3K5 (0.44) MAP3K5METTL3RAB9ASMN1; SMN2TSHR
SCHEMBL1302857 0.84 MAP3K5 (0.44) MAP3K5METTL3RAB9ASMN1; SMN2NPC1
SCHEMBL1303590 0.80 MAP3K5 (0.47) MAP3K5METTL3RAB9ASMN1; SMN2NPC1
SCHEMBL1303091 0.79 PIK3CA (0.43) MAP3K5PIK3CGPIK3CAPIK3CDPIK3CB
SCHEMBL1303304 0.79 MAP3K5 (0.41) MAP3K5METTL3RAB9ASMN1; SMN2NPC1
SCHEMBL1303814 0.77 MAP3K5 (0.46) MAP3K5METTL3RAB9ASMN1; SMN2NPC1
SCHEMBL31204267 0.76 MAP3K5 (0.50) MAP3K5METTL3RAB9ASMN1; SMN2NPC1
SCHEMBL1302071 0.75 PIK3CA (0.41) RAB9ASMN1; SMN2TSHRNPC1PIK3CG
SCHEMBL1302544 0.74 PIK3CA (0.43) RAB9ASMN1; SMN2TSHRPIK3CGPIK3CA
SCHEMBL1302835 0.74 MAPK1 (0.43) PIK3CGROCK2PIK3CAPIK3CDPIK3CB

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-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 160/4885METTL3 4834/4885RAB9A 2332/4885

“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.