SCHEMBL944037

SCHEMBL944037

O=C(Nc1cncnc1)c1ccccn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.62
GRM4 Q14833 6/20 0.58
HDAC6 Q9UBN7 2/20 0.58
SMN1; SMN2 Q16637 7/20 0.56
NPC1 O15118 6/20 0.56
RAB9A P51151 6/20 0.56
KDR P35968 4/20 0.56
PKM P14618 2/20 0.56
MAPT P10636 1/20 0.56
KCNK3 O14649 1/20 0.56
KCNK9 Q9NPC2 1/20 0.56
KDM4E B2RXH2 2/20 0.54
MITF O75030 1/20 0.54
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53

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
SCHEMBL12469188 0.85 ATG4B (0.69) GRM4HDAC6NPC1RAB9AKDR
SCHEMBL6925149 0.83 GRM5 (0.74) GRM4SMN1; SMN2NPC1RAB9APKM
SCHEMBL12469044 0.82 NPC1 (0.64) GRM4HDAC6SMN1; SMN2NPC1RAB9A
SCHEMBL29581099 0.82 NPC1 (0.64) GRM4HDAC6SMN1; SMN2NPC1RAB9A
SCHEMBL231897 0.82 KDR (0.78) GRM4HDAC6SMN1; SMN2NPC1RAB9A
SCHEMBL29184186 0.80 KDR (0.76) GRM4HDAC6SMN1; SMN2NPC1RAB9A
SCHEMBL22574189 0.80 GRM4 (0.55) GRM4HDAC6SMN1; SMN2NPC1RAB9A
SCHEMBL6037590 0.79 KDR (0.78) GRM4SMN1; SMN2NPC1RAB9AKDR
SCHEMBL23405955 0.79 KCNK3 (0.60) GRM4HDAC6SMN1; SMN2NPC1RAB9A
SCHEMBL29744227 0.79 KCNK3 (0.60) GRM4HDAC6SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111868037-B Fused cyclic urea derivatives as CRHR2 antagonists 拉夸里亚创药株式会社 2023-10-13 CN claimed
EP-3774739-B1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST RAQUALIA PHARMA INC (JP) 2022-05-11 EP claimed
CN-111868037-B Fused cyclic urea derivatives as CRHR2 antagonists 拉夸里亚创药株式会社 2023-10-13 CN 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
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 BCAT2 4331/4885GRM4 2822/4885HDAC6 1262/4885
US-20170196844-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 BCAT2 4331/4885GRM4 2822/4885HDAC6 1262/4885
US-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, AIFM1 BCAT2 4270/4885GRM4 2697/4885HDAC6 1360/4885
US-20160130251-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 BCAT2 4331/4885GRM4 2822/4885HDAC6 1262/4885
US-20130035339-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, MAP3K6 BCAT2 4255/4885GRM4 2787/4885HDAC6 1257/4885
US-20130012521-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 BCAT2 4331/4885GRM4 2822/4885HDAC6 1262/4885

“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.