SCHEMBL935558

SCHEMBL935558

O=C(Nc1cnc2ccccc2c1)c1ccccn1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.70
RAB9A P51151 7/20 0.70
KDM4E B2RXH2 4/20 0.70
ALDH1A1 P00352 3/20 0.70
HPGD P15428 1/20 0.70
TSHR P16473 1/20 0.70
HSD17B10 Q99714 1/20 0.70
L3MBTL1 Q9Y468 1/20 0.70
KDR P35968 10/20 0.69
SMN1; SMN2 Q16637 4/20 0.65
MITF O75030 1/20 0.63
XBP1 P17861 1/20 0.63
PAX8 Q06710 1/20 0.63
KLF5 Q13887 1/20 0.63
MAPT P10636 2/20 0.61
NFKB1 P19838 1/20 0.61
NFKB2 Q00653 1/20 0.61
RELA Q04206 1/20 0.61
TMPRSS4 Q9NRS4 1/20 0.61
TRPV1 Q8NER1 1/20 0.60

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
SCHEMBL5578096 0.90 NPC1 (0.81) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL946137 0.85 RAB9A (0.56) NPC1RAB9AKDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL6084063 0.84 SMN1; SMN2 (0.71) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL5578232 0.83 KDR (0.67) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL15408237 0.82 GRM4 (0.67) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL995474 0.82 KDR (1.00) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL27866684 0.81 NPC1 (0.80) NPC1RAB9AKDM4EALDH1A1TSHR
SCHEMBL5263150 0.81 KDR (0.63) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL14754797 0.80 KDR (0.70) NPC1RAB9AKDM4EALDH1A1KDR
SCHEMBL945450 0.80 NPC1 (0.64) NPC1RAB9AKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-9067933-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2015-06-30 US 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 NPC1 3104/4885RAB9A 3136/4885KDM4E 2485/4885
US-20170196844-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 NPC1 3104/4885RAB9A 3136/4885KDM4E 2485/4885
US-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, AIFM1 NPC1 3061/4885RAB9A 3164/4885KDM4E 2391/4885
US-20160130251-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 NPC1 3104/4885RAB9A 3136/4885KDM4E 2485/4885
US-20130035339-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, MAP3K6 NPC1 3087/4885RAB9A 3230/4885KDM4E 2486/4885
US-20130012521-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 NPC1 3104/4885RAB9A 3136/4885KDM4E 2485/4885

“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.