SCHEMBL741341

SCHEMBL741341

Nc1ncc(Br)cc1S(=O)(=O)NCCN1CCCC1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
HSD17B10 Q99714 2/20 0.54
ALDH1A1 P00352 2/20 0.54
GAA P10253 2/20 0.54
GFER P55789 2/20 0.53
SIGMAR1 Q99720 3/20 0.53
MAPT P10636 3/20 0.51
LMNA P02545 2/20 0.51
KDM4E B2RXH2 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
RAB9A P51151 1/20 0.47
PLA2G1B P04054 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
NPC1 O15118 1/20 0.47

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
SCHEMBL8125332 0.85 TSHR (0.48) POLBHSD17B10ALDH1A1GAAGFER
SCHEMBL742668 0.80 NPC1 (0.55) HSD17B10ALDH1A1GAAGFERMAPT
SCHEMBL856830 0.79 PLA2G1B (0.56) HSD17B10ALDH1A1GAAGFERMAPT
SCHEMBL742729 0.79 ALDH1A1 (0.57) HSD17B10ALDH1A1GAAGFERMAPT
SCHEMBL743361 0.78 KMT2A (0.59) POLBHSD17B10ALDH1A1GAAGFER
SCHEMBL859102 0.76 NPC1 (0.54) HSD17B10ALDH1A1GAAGFERMAPT
SCHEMBL741550 0.76 KMT2A (0.54) HSD17B10ALDH1A1GAAGFERMAPT
SCHEMBL18175532 0.76 GAA (0.55) HSD17B10ALDH1A1GAAGFERMAPT
SCHEMBL858850 0.76 NPC1 (0.59) POLBHSD17B10ALDH1A1GAAMAPT
SCHEMBL741371 0.75 GAA (0.54) POLBHSD17B10ALDH1A1GAAGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2596793-B1 Quinoline derivatives as PI3 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2015-07-08 EP disclosed
US-20140296224-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC 2014-10-02 US disclosed
US-8785433-B2 Quinoline derivatives as PI3 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2014-07-22 US disclosed
US-8633187-B2 Quinoline derivatives as PI3 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2014-01-21 US disclosed
US-8404837-B2 Quinoline derivatives as P13 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2013-03-26 US disclosed
US-8404837-B2 Quinoline derivatives as P13 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2013-03-26 US disclosed
US-20120165321-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2012-06-28 US disclosed
US-8138347-B2 Quinoline derivatives as PI3 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2012-03-20 US disclosed
US-8138347-B2 Quinoline derivatives as PI3 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2012-03-20 US disclosed
US-20100168100-A1 QUINOLINE DERIVATIVES AS P13 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2010-07-01 US disclosed
US-20100168100-A1 QUINOLINE DERIVATIVES AS P13 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2010-07-01 US disclosed
US-20100152112-A1 QUINOLINE DERIVATIVES AS P13 KINASE INHIBITORS GLAXOSMITHKLINE LLC 2010-06-17 US disclosed
US-20100152112-A1 QUINOLINE DERIVATIVES AS P13 KINASE INHIBITORS GLAXOSMITHKLINE LLC 2010-06-17 US disclosed
US-20080300239-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC 2008-12-04 US disclosed
US-20080300239-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC 2008-12-04 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 (5 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-20100152112-A1 QUINOLINE DERIVATIVES AS P13 KINASE INHIBITORS JAK3, PI4KA, PIP4K2A POLB 2955/4885HSD17B10 4492/4885ALDH1A1 2764/4885
US-20100168100-A1 QUINOLINE DERIVATIVES AS P13 KINASE INHIBITORS JAK3, PI4KA, PIP4K2A POLB 2955/4885HSD17B10 4492/4885ALDH1A1 2764/4885
US-20120165321-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS PIK3CD, PIK3CG, PIK3CB POLB 2767/4885HSD17B10 4327/4885ALDH1A1 2441/4885
US-20140296224-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS PIK3CD, PIK3CG, PIK3CB POLB 2767/4885HSD17B10 4327/4885ALDH1A1 2441/4885
US-20080300239-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS PIK3CD, PIK3CG, PIK3CB POLB 2767/4885HSD17B10 4327/4885ALDH1A1 2441/4885

“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.