SCHEMBL21649348

SCHEMBL21649348

O=C(O)c1cc(-n2cnc(C3CC3)c2)c(N2CCOCC2)cc1F

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 20/20 0.55
AKT1 P31749 1/20 0.41

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
SCHEMBL22474079 0.88 MAP3K5 (0.54) MAP3K5
SCHEMBL23048789 0.82 MAP3K5 (0.46) MAP3K5AKT1
SCHEMBL21649346 0.81 MAP3K5 (0.50) MAP3K5
SCHEMBL21461062 0.81 MAP3K5 (0.55) MAP3K5AKT1
SCHEMBL29949159 0.81 MAP3K5 (0.55) MAP3K5AKT1
SCHEMBL30433833 0.80 MAP3K5 (0.53) MAP3K5
SCHEMBL20557516 0.80 MAP3K5 (0.53) MAP3K5
SCHEMBL15143877 0.80 MAP3K5 (0.65) MAP3K5
Hydrochloric Acid SCHEMBL15136406 0.79 MAP3K5 (0.64) MAP3K5
Water SCHEMBL28514353 0.79 MAP3K5 (0.64) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3572401-B1 ASK1 INHIBITOR AND PREPARATION METHOD AND USE THEREOF FUJIAN COSUNTER PHARMACEUTICAL CO LTD (CN) 2021-09-29 EP disclosed
US-11040968-B2 Pyridine derivative as ASK1 inhibitor and preparation method and use thereof FUJIAN AKEYLINK BIOTECHNOLOGY CO., LTD. (CN) 2021-06-22 US disclosed
EP-3572412-B1 PYRIDINE DERIVATIVE AS ASK1 INHIBITOR AND PREPARATION METHOD AND USE THEREOF FUJIAN COSUNTER PHARMACEUTICAL CO LTD (CN) 2021-03-03 EP disclosed
US-10787435-B2 ASK1 inhibitor and preparation method and use thereof Fuijan Cosunter Pharmaceutical Co. Ltd. (CN) 2020-09-29 US disclosed
US-20200031823-A1 PYRIDINE DERIVATIVE AS ASK1 INHIBITOR AND PREPARATION METHOD AND USE THEREOF FUJUAN COSUNTER PHARMACEUTICAL CO., LTD. (CN) 2020-01-30 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 (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-11040968-B2 Pyridine derivative as ASK1 inhibitor and preparation method and use thereof MARK1, MAP3K1, MAP3K11 MAP3K5 5/4885AKT1 570/4885
US-10787435-B2 ASK1 inhibitor and preparation method and use thereof MARK1, MAP3K1, MAP3K20 MAP3K5 10/4885AKT1 250/4885
US-20200031823-A1 PYRIDINE DERIVATIVE AS ASK1 INHIBITOR AND PREPARATION METHOD AND USE THEREOF MARK1, MAP3K1, MAP3K11 MAP3K5 5/4885AKT1 570/4885

“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.