SCHEMBL800508

SCHEMBL800508

CN(Cc1ccccc1)c1nc2ccc(Br)cc2[n+]([O-])n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 2/20 0.47
PIK3CD O00329 1/20 0.47
PIK3R1 P27986 1/20 0.47
HTT P42858 1/20 0.47
HIF1A Q16665 1/20 0.47
EHMT2 Q96KQ7 1/20 0.36
EHMT1 Q9H9B1 1/20 0.36
RPS6KB1 P23443 1/20 0.36
PIM1 P11309 1/20 0.36
MAPT P10636 4/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
PDE5A O76074 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ERAP1 Q9NZ08 1/20 0.34
IP6K1 Q92551 1/20 0.33
HDAC6 Q9UBN7 2/20 0.33
TP53 P04637 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 0.73 LMNA (0.47) SMN1; SMN2LMNAHTTHIF1AMAPT
SCHEMBL16161457 0.72
SCHEMBL781999 0.72 HTT (0.40) SMN1; SMN2LMNAHTTMAPTKMT2A
SCHEMBL25074844 0.70 ALDH1A1 (0.36) LMNAHTTKMT2ARXFP1
SCHEMBL6673515 0.67 SLC2A1 (0.35) HTTKMT2A
SCHEMBL18171876 0.67 SMN1; SMN2 (0.54) SMN1; SMN2LMNAPIK3CDPIK3R1HTT
SCHEMBL780542 0.67 HTT (0.44) LMNAHTTKMT2ARXFP1
SCHEMBL29864519 0.67 ALOX15 (0.35) LMNAHTT
SCHEMBL781713 0.67 PABPC1 (0.47) HTTMAPTKMT2A
SCHEMBL29864683 0.67 HTT (0.44) LMNAHTTKMT2ARXFP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20120071478-A1 SUBSTITUTED BENZOTRIAZINES AND QUINOXALINES AS INHIBITORS OF P7OS6 KINASE SENTINEL ONCOLOGY LIMITED (GB) 2012-03-22 US 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 SMN1; SMN2 2266/4885LMNA 3227/4885PIK3CD 584/4885

“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.