SCHEMBL231752

SCHEMBL231752

NNC(=O)c1nc(Br)cs1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.53
ALDH1A1 P00352 6/20 0.47
LMNA P02545 1/20 0.47
OGG1 O15527 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK10 P53779 1/20 0.38
KDM4E B2RXH2 5/20 0.37
P2RX7 Q99572 2/20 0.35
MPO P05164 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2A6 P11509 1/20 0.34
CYP2C19 P33261 1/20 0.34
GAA P10253 3/20 0.34
NPC1 O15118 1/20 0.33
DHFR P00374 1/20 0.33
EGFR P00533 1/20 0.33
ERBB2 P04626 1/20 0.33

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
SCHEMBL1032888 0.82
SCHEMBL1476030 0.81 GRM5 (0.55) GRM5ALDH1A1MAPK8MAPK10KDM4E
SCHEMBL20428951 0.78 GRM5 (0.49) GRM5ALDH1A1LMNAKDM4ECYP2D6
SCHEMBL107709 0.77 S100A4 (0.48) GRM5ALDH1A1KDM4EP2RX7GAA
SCHEMBL18568508 0.77 GRM5 (0.55) GRM5MAPK8MAPK10HDAC1HDAC8
SCHEMBL28901800 0.76 GRM5 (0.43) GRM5ALDH1A1LMNAMAPK8MAPK10
SCHEMBL28878477 0.76 HTR2B (0.42) ALDH1A1LMNAP2RX7CYP2C19GAA
Bromide SCHEMBL27274495 0.76 GRM5 (0.41) GRM5ALDH1A1LMNAMAPK8MAPK10
SCHEMBL19718381 0.76 KDM4E (0.39) ALDH1A1LMNAKDM4EP2RX7MPO
SCHEMBL1706430 0.75

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 77 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109265443-B Heterocyclic compounds as ASK inhibitors and uses thereof 南京圣和药业股份有限公司 2022-11-29 CN disclosed
EP-3572401-B1 ASK1 INHIBITOR AND PREPARATION METHOD AND USE THEREOF FUJIAN COSUNTER PHARMACEUTICAL CO LTD (CN) 2021-09-29 EP disclosed
CN-107108598-B Thiazoles as Ror gamma t modulators 詹森药业有限公司 2020-11-17 CN disclosed
US-RE48150-E1 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2020-08-11 US disclosed
US-10307427-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2019-06-04 US disclosed
EP-3083615-B1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES INC (US) 2019-04-17 EP disclosed
EP-3083615-B1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES INC (US) 2019-04-17 EP disclosed
CN-109265443-A Heterocyclic compound and its application as ASK inhibitor 南京圣和药业股份有限公司 2019-01-25 CN disclosed
WO-2019015559-A1 HETEROCYCLIC COMPOUND ACTING AS ASK INHIBITOR AND USE THEREOF 南京圣和药业股份有限公司 2019-01-24 WO disclosed
EP-3212641-B1 THIAZOLES AS MODULATORS OF RORYT JANSSEN PHARMACEUTICA NV (BE) 2018-12-05 EP disclosed
US-20130203819-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2013-08-08 US disclosed
US-8440665-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2013-05-14 US disclosed
US-8440665-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2013-05-14 US disclosed
US-8440665-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2013-05-14 US disclosed
EP-2588475-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS Gilead Sciences, Inc. (US) 2013-05-08 EP disclosed
CN-102985418-A Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES INC 2013-03-20 CN disclosed
US-20120004267-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2012-01-05 US disclosed
US-20120004267-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2012-01-05 US disclosed
US-20120004267-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2012-01-05 US disclosed
WO-2012003387-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2012-01-05 WO 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 (3 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-20130203819-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS AIFM1, MAP3K1, RIPK3 GRM5 3196/4885ALDH1A1 3284/4885LMNA 1842/4885
US-10307427-B2 Apoptosis signal-regulating kinase inhibitors AIFM1, DAPK1, MAP3K1 GRM5 4176/4885ALDH1A1 2357/4885LMNA 2703/4885
US-20120004267-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS AIFM1, MAP3K1, RIPK3 GRM5 3196/4885ALDH1A1 3284/4885LMNA 1842/4885

“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.