SCHEMBL15074158

SCHEMBL15074158

Cc1cc(N)c(Br)nc1-c1cnn(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 5/20 0.42
TTK P33981 2/20 0.41
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
INCENP Q9NQS7 1/20 0.41
ADORA2A P29274 1/20 0.41
LRRK2 Q5S007 2/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PI4KA P42356 1/20 0.39
PIK3CG P48736 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
PLAU P00749 1/20 0.39
MAPK1 P28482 1/20 0.38
SMARCA2 P51531 1/20 0.37
SMARCA4 P51532 1/20 0.37
CCNA2 P20248 3/20 0.37
CDK2 P24941 3/20 0.37
CHEK1 O14757 2/20 0.37

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
SCHEMBL15073971 0.84 AXL (0.48) AXLTTKAURKAAURKBINCENP
SCHEMBL15074188 0.82 AXL (0.42) AXLTTKADORA2APLAUMAPK1
SCHEMBL20657714 0.79 AXL (0.47) AXLTTKAURKAAURKBINCENP
SCHEMBL19171737 0.79 FGFR1 (0.40) AXLTTKAURKAAURKBINCENP
SCHEMBL20657456 0.73 BRD4 (0.40) AXLTTKAURKAAURKBINCENP
SCHEMBL15074148 0.73 AXL (0.48) AXLTTKAURKAAURKBINCENP
SCHEMBL22894666 0.71 AXL (0.39) AXLTTKADORA2AMAPK1CCNA2
SCHEMBL15507821 0.71 ALDH1A1 (0.59) AXLTTKAURKAAURKBINCENP
SCHEMBL17234683 0.71 CLK2 (0.40) AXLTTKADORA2AMAPK1CCNA2
SCHEMBL29061506 0.70 PIM1 (0.51) TTKAURKAAURKBINCENPLRRK2

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-2794613-B1 CONDENSED TRICLYCLIC COMPOUNDS AS INHIBITORS OF HIV REPLICATION BOEHRINGER INGELHEIM INT (DE) 2017-03-29 EP disclosed
US-9399645-B2 Inhibitors of HIV replication BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-07-26 US disclosed
US-9399645-B2 Inhibitors of HIV replication BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-07-26 US disclosed
US-20150011531-A1 INHIBITORS OF HIV REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-08 US disclosed
US-20150011531-A1 INHIBITORS OF HIV REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-08 US disclosed
WO-2013091096-A1 CONDENSED TRICLYCLIC COMPOUNDS AS INHIBITORS OF HIV REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-27 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-20150011531-A1 INHIBITORS OF HIV REPLICATION MCM3, REV1, POLR2E AXL 2324/4885TTK 3562/4885AURKA 1067/4885

“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.