SCHEMBL780199

SCHEMBL780199

NCc1cnc2cc(Br)ccc2n1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.44
PDE10A Q9Y233 1/20 0.40
BACE1 P56817 2/20 0.39
HTT P42858 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
PIK3CA P42336 2/20 0.36
PIK3R1 P27986 1/20 0.36
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
DPP4 P27487 1/20 0.33
PTGES O14684 1/20 0.33
TLR9 Q9NR96 1/20 0.33
BIRC5 O15392 1/20 0.33
APP P05067 1/20 0.32
NQO2 P16083 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
SCHEMBL30192121 0.93 PABPC1 (0.41) PABPC1PDE10ABACE1HTTCYP1A2
SCHEMBL18614405 0.82 PIK3CA (0.47) PABPC1PDE10ABACE1HTTCYP1A2
SCHEMBL13226945 0.82 PABPC1 (0.41) PABPC1PDE10ABACE1HTTCYP1A2
SCHEMBL23093846 0.79 PDE10A (0.46) PABPC1PDE10ABACE1HTTCYP1A2
SCHEMBL7994379 0.78 PABPC1 (0.38) PABPC1PDE10ABACE1HTTCYP1A2
SCHEMBL22798780 0.77 PDE10A (0.43) PABPC1PDE10AHTTCYP1A2CYP2C19
SCHEMBL30134360 0.76 PDE10A (0.41) PABPC1PDE10ABACE1HTTCYP1A2
SCHEMBL1598483 0.76 BACE1 (0.57) PABPC1BACE1HTTCYP1A2CYP2C19
SCHEMBL25285818 0.76 BACE1 (0.57) PABPC1BACE1HTTCYP1A2CYP2C19
SCHEMBL23093834 0.75 PDE10A (0.40) PABPC1PDE10ABACE1HTTCYP1A2

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
EP-2435423-B1 SUBSTITUTED BENZOTRIAZINES AND QUINOXALINES AS INHIBITORS OF P70S6 KINASE SENTINEL ONCOLOGY LTD (GB) 2014-10-15 EP disclosed
US-8716473-B2 Substituted benzotriazines and quinoxalines as inhibitors of P7OS6 kinase SENTINEL ONCOLOGY LIMITED (GB) 2014-05-06 US disclosed
US-20120071478-A1 SUBSTITUTED BENZOTRIAZINES AND QUINOXALINES AS INHIBITORS OF P7OS6 KINASE SENTINEL ONCOLOGY LIMITED (GB) 2012-03-22 US disclosed
WO-2010136755-A1 SUBSTITUTED BENZOTRIAZINES AND QUINOXALINES AS INHIBITORS OF P7OS6 KINASE SENTINEL ONCOLOGY LIMITED (GB) 2010-12-02 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-20120071478-A1 SUBSTITUTED BENZOTRIAZINES AND QUINOXALINES AS INHIBITORS OF P7OS6 KINASE CDK1, CDK2, CDK6 PABPC1 2788/4885PDE10A 4261/4885BACE1 3585/4885

“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.