SCHEMBL20523136

SCHEMBL20523136

CC(CO)n1cnnc1-c1cccc(N)n1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 20/20 0.58
MAP3K7 O43318 4/20 0.54
MAP3K6 O95382 4/20 0.54
CCNA2 P20248 1/20 0.50
CCNE1 P24864 1/20 0.50
CDK2 P24941 1/20 0.50
TYK2 P29597 1/20 0.50
GSK3B P49841 1/20 0.50
CDK3 Q00526 1/20 0.50

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
SCHEMBL30269941 1.00 MAP3K5 (0.58) MAP3K5MAP3K7MAP3K6CCNA2CCNE1
SCHEMBL20523134 1.00 MAP3K5 (0.58) MAP3K5MAP3K7MAP3K6CCNA2CCNE1
SCHEMBL29217677 1.00 MAP3K5 (0.58) MAP3K5MAP3K7MAP3K6CCNA2CCNE1
SCHEMBL20802806 0.90 MAP3K5 (0.49) MAP3K5MAP3K7MAP3K6CCNA2CCNE1
SCHEMBL20802747 0.90 MAP3K5 (0.60) MAP3K5MAP3K7MAP3K6CCNA2CCNE1
SCHEMBL28369638 0.90 MAP3K5 (0.60) MAP3K5MAP3K7MAP3K6CCNA2CCNE1
SCHEMBL20802849 0.87 MAP3K5 (0.53) MAP3K5MAP3K7MAP3K6CCNA2CCNE1
SCHEMBL20802753 0.87 MAP3K5 (0.53) MAP3K5MAP3K7MAP3K6CCNA2CCNE1
SCHEMBL20501037 0.86 MAP3K5 (0.58) MAP3K5MAP3K7MAP3K6CDK2
SCHEMBL20501035 0.86 MAP3K5 (0.58) MAP3K5MAP3K7MAP3K6CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117903128-A ASK1/PDK1 double-targeting inhibitor, and preparation method and application thereof 中南大学 2024-04-19 CN disclosed
CN-117756785-A Preparation and application of N- (pyridine-2-yl) benzo [ b ] five-membered heterocycle-3-carboxamide structure compound 江西中医药大学 2024-03-26 CN disclosed
CN-116874468-A Synthesis and application of small molecular compound with 2-pyridine substituted formamide structure 江西中医药大学 2023-10-13 CN disclosed
CN-110818683-B 2-pyridine substituted urea structure small molecule compound and synthesis and application thereof 中国科学院上海药物研究所 2023-04-14 CN disclosed
US-11345676-B2 Apoptosis signal-regulating kinase 1 (ASK 1) inhibitor compounds PHARMAKEA, INC. (US) 2022-05-31 US disclosed
US-11345699-B2 Apoptosis signal-regulating kinase 1 inhibitors and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2022-05-31 US disclosed
CN-109071498-B Kinase inhibitor and preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2021-03-30 CN disclosed
US-20200157095-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2020-05-21 US disclosed
CN-110818683-A 2-pyridine substituted urea structure small molecule compound and synthesis and application thereof 中国科学院上海药物研究所 2020-02-21 CN disclosed
US-20200048218-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 (ASK 1) INHIBITOR COMPOUNDS PHARMAKEA, INC. 2020-02-13 US disclosed
EP-3601250-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 (ASK 1) INHIBITOR COMPOUNDS Pharmakea, Inc. (US) 2020-02-05 EP disclosed
US-10450301-B2 Apoptosis signal-regulating kinase 1 inhibitors and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2019-10-22 US disclosed
US-20180362503-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-12-20 US disclosed
WO-2018218051-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. (US) 2018-11-29 WO disclosed
WO-2018183122-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 (ASK 1) INHIBITOR COMPOUNDS SIDECAR THERAPEUTICS, INC. (US) 2018-10-04 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 (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-20180362503-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS AND METHODS OF USE THEREOF BAD, AIFM1, BCL2 MAP3K5 46/4885MAP3K7 48/4885MAP3K6 38/4885
US-10450301-B2 Apoptosis signal-regulating kinase 1 inhibitors and methods of use thereof BAD, AIFM1, BCL2 MAP3K5 46/4885MAP3K7 48/4885MAP3K6 38/4885
US-20200048218-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 (ASK 1) INHIBITOR COMPOUNDS BAX, BAD, BCL2 MAP3K5 13/4885MAP3K7 16/4885MAP3K6 10/4885
US-11345699-B2 Apoptosis signal-regulating kinase 1 inhibitors and methods of use thereof BAD, AIFM1, BCL2 MAP3K5 46/4885MAP3K7 48/4885MAP3K6 38/4885
US-20200157095-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS AND METHODS OF USE THEREOF BAD, AIFM1, BCL2 MAP3K5 46/4885MAP3K7 48/4885MAP3K6 38/4885
US-11345676-B2 Apoptosis signal-regulating kinase 1 (ASK 1) inhibitor compounds BAX, BAD, BCL2 MAP3K5 13/4885MAP3K7 16/4885MAP3K6 10/4885

“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.