SCHEMBL1303304

SCHEMBL1303304

O=C(NCCc1nnn(CCF)n1)Nc1cn2cc(Br)ccc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 2/20 0.41
PIK3CA P42336 3/20 0.35
CLK2 P49760 2/20 0.35
PIK3CD O00329 2/20 0.35
PIK3CB P42338 2/20 0.35
PIK3CG P48736 2/20 0.35
PI4KB Q9UBF8 2/20 0.35
CLK1 P49759 2/20 0.35
ABL1 P00519 2/20 0.35
METTL3 Q86U44 2/20 0.34
ADRB1 P08588 1/20 0.33
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ROCK2 O75116 1/20 0.32

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 0.89 MAP3K5 (0.44) MAP3K5PIK3CACLK2PIK3CDPIK3CB
SCHEMBL1303590 0.87 MAP3K5 (0.47) MAP3K5PIK3CACLK2PIK3CDPIK3CB
SCHEMBL1302857 0.85 MAP3K5 (0.44) MAP3K5PIK3CAMETTL3NPC1RAB9A
SCHEMBL1303814 0.82 MAP3K5 (0.46) MAP3K5PIK3CACLK2PIK3CDPIK3CB
SCHEMBL1303676 0.81 PIK3CA (0.41) PIK3CACLK2PIK3CDPIK3CBPIK3CG
SCHEMBL1303780 0.81 PIK3CD (0.42) MAP3K5PIK3CACLK2PIK3CDPIK3CB
SCHEMBL1302463 0.79 PIK3CD (0.46) MAP3K5PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL1303399 0.79 MAP3K5 (0.46) MAP3K5PIK3CACLK2PIK3CDPIK3CB
SCHEMBL1303903 0.77 MAP3K5 (0.46) MAP3K5PIK3CAPIK3CGMETTL3NPC1
SCHEMBL1304043 0.75 RAB9A (0.47) PIK3CACLK2PIK3CDPIK3CBPIK3CG

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 5 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
US-20100075965-A1 PI3 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG 2010-03-25 US 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 (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-20100075965-A1 PI3 KINASE INHIBITORS AND METHODS OF THEIR USE PIK3CA, PIK3CD, PIK3CB MAP3K5 192/4885PIK3CA 1/4885CLK2 620/4885
US-20100197682-A1 Organic Compounds PIK3CA, PI4KA, PI4KB MAP3K5 160/4885PIK3CA 1/4885CLK2 297/4885

“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.