SCHEMBL946786

SCHEMBL946786

O=C(Nc1cnccn1)c1ccccn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.62
▸ RAB9A P51151 3/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ ALDH1A1 P00352 2/20 0.58
▸ TSHR P16473 2/20 0.57
▸ KDM4E B2RXH2 2/20 0.56
▸ GRM5 P41594 2/20 0.56
▸ MCL1 Q07820 1/20 0.55
▸ NPC1 O15118 2/20 0.54
▸ MAPT P10636 2/20 0.54
▸ HDAC3 O15379 2/20 0.54
▸ HDAC1 Q13547 2/20 0.54
▸ HDAC2 Q92769 2/20 0.54
▸ HDAC8 Q9BY41 2/20 0.54
▸ HDAC6 Q9UBN7 2/20 0.54
▸ TP53 P04637 1/20 0.54
▸ NFKB1 P19838 1/20 0.54
▸ NFKB2 Q00653 1/20 0.54
▸ RELA Q04206 1/20 0.54
▸ HTT P42858 1/20 0.52

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
SCHEMBL2465497 0.89 GRM5 (0.67) KMT2ARAB9ASMN1; SMN2ALDH1A1TSHR
SCHEMBL9384187 0.84 NPC1 (0.72) KMT2ARAB9ASMN1; SMN2ALDH1A1TSHR
SCHEMBL45148 0.81 KMT2A (0.73) KMT2ARAB9ASMN1; SMN2ALDH1A1TSHR
SCHEMBL13728799 0.80 KMT2A (0.62) KMT2ARAB9ASMN1; SMN2ALDH1A1TSHR
SCHEMBL29238994 0.80 KMT2A (0.71) KMT2ARAB9ASMN1; SMN2ALDH1A1TSHR
SCHEMBL30533391 0.80 KMT2A (0.71) KMT2ARAB9ASMN1; SMN2ALDH1A1TSHR
SCHEMBL3218465 0.78 CNR2 (0.57) KMT2ARAB9ASMN1; SMN2ALDH1A1TSHR
SCHEMBL18132570 0.78 KDM4E (0.69) KMT2ARAB9ASMN1; SMN2ALDH1A1TSHR
SCHEMBL6642201 0.77 KMT2A (0.67) KMT2ARAB9ASMN1; SMN2TSHRNPC1
SCHEMBL12469188 0.77 ATG4B (0.69) KMT2ARAB9AALDH1A1TSHRKDM4E

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 12 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
CN-105658639-A Alkynyl alcohols and methods of use 豪夫迈·罗氏有限公司 2016-06-08 — — CN 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
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 KMT2A 4149/4885RAB9A 3136/4885SMN1; SMN2 1575/4885
US-20170196844-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 KMT2A 4149/4885RAB9A 3136/4885SMN1; SMN2 1575/4885
US-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, AIFM1 KMT2A 4200/4885RAB9A 3164/4885SMN1; SMN2 1635/4885
US-20160130251-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 KMT2A 4149/4885RAB9A 3136/4885SMN1; SMN2 1575/4885
US-20130035339-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, MAP3K6 KMT2A 4103/4885RAB9A 3230/4885SMN1; SMN2 1552/4885
US-20130012521-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 KMT2A 4149/4885RAB9A 3136/4885SMN1; SMN2 1575/4885

“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.

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