SCHEMBL1302571

SCHEMBL1302571

O=C(Nc1cn2cc(Br)ccc2n1)Oc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 2/20 0.52
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 7/20 0.42
NPC1 O15118 6/20 0.42
SMN1; SMN2 Q16637 6/20 0.42
RAB9A P51151 5/20 0.42
MEN1 O00255 2/20 0.42
GAA P10253 2/20 0.42
RXFP1 Q9HBX9 2/20 0.42
PIK3CG P48736 1/20 0.40
MAPT P10636 4/20 0.40
KDM4E B2RXH2 4/20 0.40
HPGD P15428 3/20 0.40
ROCK2 O75116 1/20 0.40
THRB P10828 1/20 0.40
LMNA P02545 2/20 0.39
RAD51 Q06609 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX12 P18054 1/20 0.38

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
SCHEMBL2392861 0.83 RAB9A (0.50) ALDH1A1NPC1SMN1; SMN2RAB9AMAPT
SCHEMBL13633553 0.82 KMT2A (0.50) KMT2AALDH1A1NPC1SMN1; SMN2RAB9A
SCHEMBL14247285 0.81 MAP3K5 (0.61) MAP3K5ALDH1A1NPC1SMN1; SMN2RAB9A
SCHEMBL14247568 0.80 MAP3K5 (0.73) MAP3K5KMT2AALDH1A1NPC1SMN1; SMN2
SCHEMBL2947671 0.76 MAP3K5 (0.64) MAP3K5ALDH1A1NPC1SMN1; SMN2RAB9A
SCHEMBL1303015 0.76 PIK3CA (0.50) MAP3K5ALDH1A1PIK3CG
SCHEMBL31204267 0.75 MAP3K5 (0.50) MAP3K5KMT2AALDH1A1NPC1SMN1; SMN2
SCHEMBL4286301 0.74 KDR (0.56) MAP3K5ALDH1A1NPC1SMN1; SMN2RAB9A
SCHEMBL3715885 0.74 MAP3K5 (0.49) MAP3K5KMT2AALDH1A1NPC1SMN1; SMN2
SCHEMBL17065938 0.73 MAP3K5 (0.56) MAP3K5PIK3CGHPGD

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-8053574-B2 Organic compounds NOVARTIS AG (CH) 2011-11-08 US disclosed
WO-2010100144-A1 FUSED BICYCLIC COMPOUNDS AS INHIBITORS FOR PI3 KINASE MERCK SERONO S.A. (CH) 2010-09-10 WO disclosed
WO-2010100144-A1 FUSED BICYCLIC COMPOUNDS AS INHIBITORS FOR PI3 KINASE MERCK SERONO S.A. (CH) 2010-09-10 WO 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
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
EP-1989201-A1 PI-3 KINASE INHIBITORS AND METHODS OF THEIR USE Novartis AG (CH) 2008-11-12 EP disclosed
WO-2007095588-A1 PI-3 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2007-08-23 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 192/4885KMT2A 3484/4885ALDH1A1 4446/4885
US-20100197682-A1 Organic Compounds PIK3CA, PI4KA, PI4KB MAP3K5 160/4885KMT2A 2106/4885ALDH1A1 3568/4885

“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.