SCHEMBL21706164

SCHEMBL21706164

O=C(Nc1cccc(-c2nnc3n2CCC3)c1)c1cc(-n2cnc(C3CC3)c2)ccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 19/20 1.00
HPGD P15428 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
SCHEMBL30444353 1.00 MAP3K5 (1.00) MAP3K5HPGD
SCHEMBL20755687 0.86 MAP3K5 (0.76) MAP3K5
SCHEMBL945832 0.82 MAP3K5 (1.00) MAP3K5
SCHEMBL29473528 0.82 MAP3K5 (1.00) MAP3K5
SCHEMBL946755 0.81 MAP3K5 (0.78) MAP3K5
SCHEMBL943924 0.81 MAP3K5 (0.78) MAP3K5
SCHEMBL17305877 0.81 MAP3K5 (0.80) MAP3K5
SCHEMBL945181 0.81 MAP3K5 (0.75) MAP3K5
SCHEMBL945441 0.81 MAP3K5 (1.00) MAP3K5
SCHEMBL12946065 0.81 MAP3K5 (0.77) MAP3K5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111107848-B Pharmaceutical composition containing amide derivatives, and preparation method and application thereof 江苏豪森药业集团有限公司 2023-05-23 CN disclosed
CN-109983007-B Amide derivative inhibitor and preparation method and application thereof 江苏豪森药业集团有限公司 2021-11-05 CN disclosed
US-11136324-B2 Substituted imidazoles as apoptosis signal regulating kinase 1 inhibitors JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2021-10-05 US disclosed
US-20210032249-A1 AMIDE DERIVATIVE INHIBITOR AND PREPARATION METHOD AND APPLICATION THEREOF JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2021-02-04 US disclosed
CN-111107848-A Pharmaceutical composition containing amide derivatives, and preparation method and application thereof 江苏豪森药业集团有限公司 2020-05-05 CN disclosed
WO-2020030107-A1 PHARMACEUTICAL COMPOSITION CONTAINING AMIDE DERIVATIVES, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 江苏豪森药业集团有限公司 2020-02-13 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 (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-20210032249-A1 AMIDE DERIVATIVE INHIBITOR AND PREPARATION METHOD AND APPLICATION THEREOF AADAC, CHUK, TFPI MAP3K5 26/4885HPGD 1194/4885
US-11136324-B2 Substituted imidazoles as apoptosis signal regulating kinase 1 inhibitors AIFM1, IRAK1, CASP1 MAP3K5 14/4885HPGD 3081/4885

“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.