SCHEMBL29425317

SCHEMBL29425317

Cc1cccc(-n2nc(NC(=O)OC(C)(C)C)cc2O)n1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.42
BRD4 O60885 2/20 0.38
PTGER1 P34995 2/20 0.38
BRD9 Q9H8M2 1/20 0.38
CYP2C9 P11712 1/20 0.38
IRAK4 Q9NWZ3 3/20 0.37
LCK P06239 4/20 0.37
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
SYK P43405 1/20 0.37
RAB9A P51151 1/20 0.37
TGM2 P21980 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GRM5 P41594 1/20 0.36

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
SCHEMBL26352661 1.00 TGFBR1 (0.42) TGFBR1BRD4PTGER1BRD9CYP2C9
SCHEMBL26352686 0.89 TGFBR1 (0.42) TGFBR1BRD4PTGER1BRD9CYP2C9
SCHEMBL26360117 0.84 TGFBR1 (0.42) TGFBR1BRD4PTGER1BRD9CYP2C9
SCHEMBL25333352 0.84 RAB9A (0.43) IRAK4RAB9AMEN1KMT2AGRM5
SCHEMBL25335825 0.80 TGFBR1 (0.37) TGFBR1BRD4PTGER1BRD9CYP2C9
SCHEMBL29425323 0.80 TGFBR1 (0.39) TGFBR1IRAK4GSK3BDYRK1AMEN1
SCHEMBL25937961 0.79 MAPT (0.42) TGFBR1BRD4BRD9LCKGSK3B
SCHEMBL533505 0.77 RAB9A (0.62) RAB9AMEN1KMT2AGRM5
SCHEMBL31151002 0.77 RAB9A (0.62) RAB9AMEN1KMT2AGRM5
SCHEMBL26352646 0.76 TGFBR1 (0.41) TGFBR1IRAK4GSK3BDYRK1ARAB9A

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
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
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 1681/4885BRD4 2117/4885PTGER1 531/4885

“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.