SCHEMBL22474086

SCHEMBL22474086

CC(C)n1cnnc1-c1cccc(N)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 16/20 0.48
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 1/20 0.40
RET P07949 1/20 0.40
CDK2 P24941 1/20 0.40
ITK Q08881 1/20 0.40
MERTK Q12866 1/20 0.40
PRKAA1 Q13131 1/20 0.40
ROCK1 Q13464 1/20 0.40
MAP4K4 O95819 1/20 0.40

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
SCHEMBL28512196 0.84 MAP3K5 (0.52) MAP3K5
SCHEMBL30686028 0.84 MAP3K5 (0.52) MAP3K5
SCHEMBL23011962 0.81 MAP3K5 (0.47) MAP3K5ALDH1A1HPGDKDM4E
SCHEMBL9910778 0.80 L3MBTL1 (0.53) MAP3K5ALDH1A1RETCDK2ITK
SCHEMBL857728 0.79 ALDH1A1 (0.43) ALDH1A1HPGDHSD17B10KDM4EMAP4K4
SCHEMBL29217682 0.77 CBLB (0.43) MAP3K5KDM4E
SCHEMBL28365584 0.74 MAP3K5 (0.43) MAP3K5RETCDK2ITKMERTK
SCHEMBL15147819 0.73 MAP3K5 (0.60) MAP3K5ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL13226000 0.72 CYP1A2 (0.54) MAP3K5ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL29506348 0.72 MAP3K5 (0.56) MAP3K5RETCDK2ITKMERTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119569701-A Preparation and application of compound with 1H-benzimidazole structure 江西中医药大学 2025-03-07 CN disclosed
CN-118324752-A Five-membered heterocyclic compound with phenyl substitution, and preparation and application thereof 江西中医药大学 2024-07-12 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-110294746-B Novel ASK1 inhibitor and application thereof 山东轩竹医药科技有限公司 2023-01-31 CN disclosed
US-20220135527-A1 PROCESSES FOR PREPARING ASK1 INHIBITORS GILEAD SCIENCES, INC. 2022-05-05 US disclosed
EP-3572401-B1 ASK1 INHIBITOR AND PREPARATION METHOD AND USE THEREOF FUJIAN COSUNTER PHARMACEUTICAL CO LTD (CN) 2021-09-29 EP disclosed
US-10787435-B2 ASK1 inhibitor and preparation method and use thereof Fuijan Cosunter Pharmaceutical Co. Ltd. (CN) 2020-09-29 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 (2 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-10787435-B2 ASK1 inhibitor and preparation method and use thereof MARK1, MAP3K1, MAP3K20 MAP3K5 10/4885ALDH1A1 3134/4885HPGD 3579/4885
US-20220135527-A1 PROCESSES FOR PREPARING ASK1 INHIBITORS MAP3K1, MAP3K6, MAP3K7 MAP3K5 6/4885ALDH1A1 2697/4885HPGD 2372/4885

“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.