SCHEMBL21649342

SCHEMBL21649342

COC(=O)c1cc(-n2cc(C3CC3)nc2S)c(Cl)cc1F

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.38
MAPT P10636 4/20 0.38
LMNA P02545 3/20 0.38
MAP3K5 Q99683 9/20 0.37
HPGD P15428 2/20 0.36
POLB P06746 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 2/20 0.35
GAA P10253 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RIPK2 O43353 1/20 0.33
MAP3K6 O95382 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
SCHEMBL22473944 0.89 KDM4E (0.41) MAP3K5HSD17B10GAAKDM4E
SCHEMBL28657005 0.81 ALDH1A1 (0.41) TP53MAPTLMNAMAP3K5HPGD
SCHEMBL28643394 0.73 ALDH1A1 (0.41) MAPTMAP3K5HPGDPOLBALDH1A1
SCHEMBL19258658 0.73 MAP3K5 (0.64) MAP3K5MAP3K6
SCHEMBL21155114 0.72 PKM (0.38) MAP3K5HPGDALDH1A1TSHRHSD17B10
SCHEMBL21649344 0.70 MAP3K5 (0.49) MAP3K5
SCHEMBL22474011 0.70 MAP3K5 (0.51) MAP3K5MAP3K6
SCHEMBL230868 0.69 MAPT (0.36) MAPTLMNAMAP3K5HPGDPOLB
SCHEMBL28649145 0.69 TP53 (0.48) TP53MAPTLMNAHPGDCYP1A2
SCHEMBL21649295 0.68 MAP3K5 (0.53) MAP3K5MAP3K6

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 TP53 1152/4885MAPT 35/4885LMNA 2700/4885
US-10787435-B2 ASK1 inhibitor and preparation method and use thereof MARK1, MAP3K1, MAP3K20 TP53 1080/4885MAPT 25/4885LMNA 2221/4885
US-20200031823-A1 PYRIDINE DERIVATIVE AS ASK1 INHIBITOR AND PREPARATION METHOD AND USE THEREOF MARK1, MAP3K1, MAP3K11 TP53 1152/4885MAPT 35/4885LMNA 2700/4885

“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.