SCHEMBL830137

SCHEMBL830137

O=c1cc(Sc2ccc(Br)cc2)c2cccnc2n1Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C19 P33261 2/20 0.45
ALDH1A1 P00352 2/20 0.45
GAA P10253 1/20 0.45
CYP2C9 P11712 1/20 0.45
PTGDR2 Q9Y5Y4 2/20 0.43
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP3A4 P08684 1/20 0.41
ATM Q13315 1/20 0.41
MAPT P10636 4/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39

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
SCHEMBL13923064 0.82 PTGDR2 (0.50) CYP1A2CYP2D6CYP2C19PTGDR2MEN1
SCHEMBL829969 0.78 FEN1 (0.42) GAAMEN1KMT2AMAPTPDE4A
SCHEMBL829777 0.76 PTGDR2 (0.51) CYP1A2CYP2D6CYP2C19ALDH1A1PTGDR2
SCHEMBL829931 0.75 MEN1 (0.63) CYP1A2CYP2D6CYP2C19ALDH1A1PTGDR2
SCHEMBL6471092 0.71 KMT2A (0.45) CYP1A2CYP2D6CYP2C19ALDH1A1GAA
SCHEMBL28969567 0.70 HDAC6 (0.58) CYP1A2CYP2D6CYP2C19ALDH1A1GAA
SCHEMBL7955156 0.70 CNR2 (0.53) ALDH1A1PTGDR2MEN1KMT2AKDM4E
SCHEMBL835675 0.69 KDM4E (0.54) ALDH1A1GAAKDM4EMAPTSMN1; SMN2
SCHEMBL1522441 0.69 TP53 (0.45) CYP1A2CYP2D6CYP2C19ALDH1A1GAA
SCHEMBL830491 0.69 TNKS (0.47) CYP1A2CYP2C19ALDH1A1CYP2C9MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143276-B2 4-thio substituted quinoline and naphthyridine compounds XTL BIOPHARMACEUTICALS LTD. (IL) 2012-03-27 US disclosed
US-8143276-B2 4-thio substituted quinoline and naphthyridine compounds XTL BIOPHARMACEUTICALS LTD. (IL) 2012-03-27 US disclosed
US-8143276-B2 4-thio substituted quinoline and naphthyridine compounds XTL BIOPHARMACEUTICALS LTD. (IL) 2012-03-27 US disclosed
EP-2061466-A2 4-THIO SUBSTITUTED QUINOLINE AND NAPHTHYRIDINE COMPOUNDS Xtl Biopharmaceuticals Ltd. (US) 2009-05-27 EP disclosed
US-20090054477-A1 4-thio substituted quinoline and naphthyridine compounds PRESIDIO PHARMACEUTICALS, INC. 2009-02-26 US disclosed
US-20090054477-A1 4-thio substituted quinoline and naphthyridine compounds PRESIDIO PHARMACEUTICALS, INC. 2009-02-26 US disclosed
US-20090054477-A1 4-thio substituted quinoline and naphthyridine compounds PRESIDIO PHARMACEUTICALS, INC. 2009-02-26 US disclosed
WO-2008024423-A2 4-THIO SUBSTITUTED QUINOLINE AND NAPHTHYRIDINE COMPOUNDS XTL BIOPHARMACEUTICALS LTD. (US) 2008-02-28 WO disclosed
WO-2008024423-A2 4-THIO SUBSTITUTED QUINOLINE AND NAPHTHYRIDINE COMPOUNDS XTL BIOPHARMACEUTICALS LTD. (US) 2008-02-28 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-20090054477-A1 4-thio substituted quinoline and naphthyridine compounds GTF3C4, HNF4A, TENT4A CYP1A2 83/4885CYP2D6 154/4885CYP2C19 458/4885

“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.