SCHEMBL781999

SCHEMBL781999

[O-][n+]1nc(CNCc2ccccc2)nc2ccc(Br)cc21

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
ALDH1A1 P00352 1/20 0.37
PDE5A O76074 2/20 0.36
MAPT P10636 1/20 0.35
KMT2A Q03164 2/20 0.33
HPGD P15428 1/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
CCR5 P51681 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
APP P05067 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
SCHEMBL780619 0.82 LMNA (0.47) HTTSMN1; SMN2LMNAALDH1A1PDE5A
SCHEMBL800508 0.72 SMN1; SMN2 (0.47) HTTSMN1; SMN2LMNAPDE5AMAPT
SCHEMBL780542 0.68 HTT (0.44) HTTLMNAALDH1A1KMT2AKDM4E
SCHEMBL781713 0.68 PABPC1 (0.47) HTTALDH1A1MAPTKMT2AKDM4E
SCHEMBL29864683 0.68 HTT (0.44) HTTLMNAALDH1A1KMT2AKDM4E
SCHEMBL25074844 0.68 ALDH1A1 (0.36) HTTLMNAALDH1A1KMT2AMEN1
SCHEMBL29864601 0.68 HTT (0.44) HTTLMNAALDH1A1KMT2AKDM4E
SCHEMBL29864530 0.68 PABPC1 (0.47) HTTALDH1A1MAPTKMT2AKDM4E
SCHEMBL29864519 0.68 ALOX15 (0.35) HTTLMNAALDH1A1
SCHEMBL779834 0.68 ALOX15 (0.35) HTTLMNAALDH1A1

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 HTT 1272/4885SMN1; SMN2 2266/4885LMNA 3227/4885

“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.