SCHEMBL25334386

SCHEMBL25334386

Cc1cccc(-n2nccc2-c2ccn3nccc3c2)n1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 9/20 0.55
▸ ACVR1B P36896 1/20 0.55
▸ IRAK4 Q9NWZ3 9/20 0.39
▸ KDM5A P29375 1/20 0.39
▸ KDM4C Q9H3R0 1/20 0.39
▸ KDM5B Q9UGL1 1/20 0.39
▸ SCN5A Q14524 1/20 0.39

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
SCHEMBL25336872 0.83 TGFBR1 (0.53) TGFBR1ACVR1BIRAK4KDM5AKDM4C
SCHEMBL29425322 0.82 TGFBR1 (0.40) TGFBR1ACVR1BIRAK4SCN5A
SCHEMBL25942816 0.79 TGFBR1 (0.41) TGFBR1ACVR1BIRAK4
SCHEMBL25942308 0.77 IRAK4 (0.42) TGFBR1IRAK4
SCHEMBL25335330 0.77 TGFBR1 (0.49) TGFBR1ACVR1BIRAK4KDM5AKDM4C
SCHEMBL25338468 0.77 TGFBR1 (0.61) TGFBR1ACVR1BIRAK4
SCHEMBL29501083 0.76 TGFBR1 (0.38) TGFBR1ACVR1BIRAK4
SCHEMBL25942605 0.76 TGFBR1 (0.55) TGFBR1ACVR1BIRAK4SCN5A
SCHEMBL25942149 0.76 TGFBR1 (0.53) TGFBR1ACVR1BIRAK4SCN5A
SCHEMBL3359544 0.75 TGFBR1 (0.53) TGFBR1ACVR1BIRAK4KDM5AKDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116249692-B Pyrazole compound as well as preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2024-08-23 — — CN disclosed
US-20230303562-A1 PYRAZOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-09-28 — — US disclosed
US-20230303562-A1 PYRAZOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-09-28 — — US disclosed
US-20230303562-A1 PYRAZOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-09-28 — — US disclosed
EP-4219453-A1 PYRAZOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2023-08-02 — — EP disclosed
EP-4219453-A1 PYRAZOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2023-08-02 — — EP disclosed
CN-116249692-A Pyrazole compound as well as preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2023-06-09 — — CN disclosed
WO-2022063050-A1 PYRAZOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2022-03-31 — — 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 (1 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-20230303562-A1 PYRAZOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF CYP51A1, CYP4F11, WEE1 TGFBR1 1681/4885ACVR1B 884/4885IRAK4 1996/4885

“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.

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