SCHEMBL740332

SCHEMBL740332

Nc1ncc(Br)cc1S(=O)(=O)Nc1ccc2c(c1)OCO2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
SHMT2 P34897 1/20 0.60
NPC1 O15118 2/20 0.57
MAPT P10636 5/20 0.55
HSD17B10 Q99714 3/20 0.55
ALOX15 P16050 1/20 0.55
MAPK1 P28482 1/20 0.55
PLA2G1B P04054 1/20 0.54
ATG4B Q9Y4P1 1/20 0.54
HPGD P15428 2/20 0.51
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
USP2 O75604 1/20 0.48
TP53 P04637 1/20 0.48
POLB P06746 1/20 0.48
TSHR P16473 1/20 0.48
GAA P10253 1/20 0.47
PKM P14618 2/20 0.47
GFER P55789 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
SCHEMBL14023926 0.78 MEN1 (0.69) MEN1KMT2ASHMT2NPC1MAPT
SCHEMBL9953246 0.77 NPC1 (0.68) MEN1KMT2ASHMT2NPC1MAPT
SCHEMBL742688 0.76 NPC1 (0.67) MEN1KMT2ASHMT2NPC1MAPT
SCHEMBL17792911 0.75 SHMT2 (1.00) MEN1KMT2ASHMT2NPC1PLA2G1B
SCHEMBL9968020 0.74 HPGD (0.74) MEN1KMT2AMAPTHSD17B10ALOX15
SCHEMBL730327 0.72 PIK3CA (0.64) MEN1KMT2APKMLMNA
SCHEMBL4881954 0.71 HPGD (0.72) MEN1KMT2AMAPTHSD17B10ALOX15
SCHEMBL10079157 0.70 GFER (0.78) MEN1KMT2AMAPTHSD17B10HPGD
SCHEMBL858025 0.70 NPC1 (0.61) MEN1KMT2ASHMT2NPC1MAPT
SCHEMBL15212028 0.70 ALPL (0.74) MEN1KMT2ASHMT2NPC1PLA2G1B

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 MEN1 1896/4885KMT2A 3045/4885SHMT2 2138/4885
US-20100168100-A1 QUINOLINE DERIVATIVES AS P13 KINASE INHIBITORS JAK3, PI4KA, PIP4K2A MEN1 1896/4885KMT2A 3045/4885SHMT2 2138/4885
US-20120165321-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS PIK3CD, PIK3CG, PIK3CB MEN1 2522/4885KMT2A 2511/4885SHMT2 1095/4885
US-20140296224-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS PIK3CD, PIK3CG, PIK3CB MEN1 2522/4885KMT2A 2511/4885SHMT2 1095/4885
US-20080300239-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS PIK3CD, PIK3CG, PIK3CB MEN1 2522/4885KMT2A 2511/4885SHMT2 1095/4885

“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.