SCHEMBL935048

SCHEMBL935048

COC(=O)c1cccc(NC(=O)c2cc(Cl)ccn2)n1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.52
ALDH1A1 P00352 2/20 0.50
GRM4 Q14833 1/20 0.50
CYP1A2 P05177 2/20 0.49
MRGPRX4 Q96LA9 1/20 0.48
KDM4C Q9H3R0 1/20 0.48
NPC1 O15118 1/20 0.48
TP53 P04637 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
IDH1 O75874 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
SCHEMBL28795275 0.85 KDM4E (0.55) GRM5GRM4CYP1A2KDM4CNPC1
SCHEMBL5029101 0.84 GRM5 (0.67) GRM5RAB9A
SCHEMBL935137 0.83 CNR2 (0.51) GRM5GRM4CYP1A2KDM4CNPC1
SCHEMBL177762 0.81 ALDH1A1 (0.57) GRM5ALDH1A1MRGPRX4KDM4CNPC1
SCHEMBL30142073 0.81 ALDH1A1 (0.57) GRM5ALDH1A1MRGPRX4KDM4CNPC1
SCHEMBL28133307 0.81 ALDH1A1 (0.57) GRM5ALDH1A1MRGPRX4KDM4CNPC1
SCHEMBL28937138 0.81 HTR1F (0.58) GRM5ALDH1A1CYP1A2MRGPRX4NPC1
SCHEMBL28937139 0.81 RXFP1 (0.71) GRM5ALDH1A1CYP1A2NPC1TP53
Hydrochloric Acid SCHEMBL177902 0.80 ALDH1A1 (0.56) GRM5ALDH1A1MRGPRX4KDM4CNPC1
SCHEMBL16382275 0.80 CNR2 (0.46) GRM5GRM4CYP1A2KDM4CNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3858824-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS Gilead Sciences, Inc. (US) 2021-08-04 EP disclosed
EP-3363797-B1 ORAL DOSAGE FORM OF APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES INC (US) 2020-12-02 EP disclosed
EP-3363797-A1 ORAL DOSAGE FORM OF APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS Gilead Sciences, Inc. (US) 2018-08-22 EP disclosed
EP-2933252-B1 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES INC (US) 2018-01-03 EP disclosed
US-20170196844-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. 2017-07-13 US disclosed
US-9586932-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2017-03-07 US disclosed
US-20160130251-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. 2016-05-12 US disclosed
EP-2933252-A1 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2015-10-21 EP disclosed
US-9067933-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2015-06-30 US disclosed
EP-2454250-B1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES INC (US) 2015-01-14 EP disclosed
US-20140018370-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. 2014-01-16 US disclosed
US-8598360-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2013-12-03 US disclosed
US-8552196-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2013-10-08 US disclosed
US-8378108-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2013-02-19 US disclosed
US-20130035339-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC (US) 2013-02-07 US disclosed
US-20130012521-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2013-01-10 US disclosed
EP-2454250-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS Gilead Sciences, Inc. (US) 2012-05-23 EP disclosed
WO-2011008709-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2011-01-20 WO disclosed
US-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2011-01-13 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 (6 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-20140018370-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 GRM5 2544/4885ALDH1A1 4244/4885GRM4 2822/4885
US-20170196844-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 GRM5 2544/4885ALDH1A1 4244/4885GRM4 2822/4885
US-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, AIFM1 GRM5 2399/4885ALDH1A1 4337/4885GRM4 2697/4885
US-20160130251-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 GRM5 2544/4885ALDH1A1 4244/4885GRM4 2822/4885
US-20130035339-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, MAP3K6 GRM5 2475/4885ALDH1A1 4158/4885GRM4 2787/4885
US-20130012521-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 GRM5 2544/4885ALDH1A1 4244/4885GRM4 2822/4885

“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.