SCHEMBL1303573

SCHEMBL1303573

CCn1cnc(CCNC(=O)Nc2cn3cc(Br)ccc3n2)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 1/20 0.45
PIK3CA P42336 6/20 0.43
PIK3CG P48736 6/20 0.43
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ROCK2 O75116 1/20 0.36
CYP2C9 P11712 1/20 0.35
PRKDC P78527 1/20 0.35
KCNH2 Q12809 1/20 0.35
CPB2 Q96IY4 1/20 0.35
METTL3 Q86U44 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL1303665 0.82 MAP3K5 (0.52) MAP3K5PIK3CAPIK3CGCYP2C9PRKDC
SCHEMBL1302670 0.79 MAP3K5 (0.44) MAP3K5PIK3CAPIK3CGNPC1RAB9A
SCHEMBL1303839 0.79 PIK3CA (0.49) MAP3K5PIK3CAPIK3CG
SCHEMBL1303789 0.77 MAP3K5 (0.44) MAP3K5PIK3CAPIK3CGNPC1RAB9A
SCHEMBL1303590 0.76 MAP3K5 (0.47) MAP3K5PIK3CAPIK3CGNPC1RAB9A
SCHEMBL1302857 0.75 MAP3K5 (0.44) MAP3K5PIK3CANPC1RAB9AROCK2
SCHEMBL1303903 0.75 MAP3K5 (0.46) MAP3K5PIK3CAPIK3CGNPC1RAB9A
SCHEMBL3716984 0.74 MAP3K5 (0.51) MAP3K5PIK3CAPIK3CGNPC1RAB9A
SCHEMBL1303492 0.74 MAP3K5 (0.55) MAP3K5PIK3CAPIK3CGNPC1RAB9A
SCHEMBL13853447 0.73 CPB2 (0.46) MAP3K5PIK3CAPIK3CGCYP2C9PRKDC

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 160/4885PIK3CA 1/4885PIK3CG 11/4885

“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.