SCHEMBL25942149

SCHEMBL25942149

Cc1cccc(-n2nccc2-c2ccn3nccc3n2)n1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 9/20 0.53
▸ DYRK1A Q13627 1/20 0.43
▸ ACVR1B P36896 1/20 0.43
▸ SCN5A Q14524 1/20 0.39
▸ IRAK4 Q9NWZ3 7/20 0.38
▸ HTR3E A5X5Y0 1/20 0.35
▸ HTR3B O95264 1/20 0.35
▸ HTR3A P46098 1/20 0.35
▸ HTR3D Q70Z44 1/20 0.35
▸ HTR3C Q8WXA8 1/20 0.35
▸ RECQL P46063 1/20 0.35

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
SCHEMBL25942088 0.78 TGFBR1 (0.43) TGFBR1DYRK1AACVR1BIRAK4
SCHEMBL25336872 0.77 TGFBR1 (0.53) TGFBR1ACVR1BIRAK4
SCHEMBL25942360 0.76 TGFBR1 (0.46) TGFBR1DYRK1AIRAK4
SCHEMBL25334386 0.76 TGFBR1 (0.55) TGFBR1ACVR1BSCN5AIRAK4
SCHEMBL25942173 0.75 TGFBR1 (0.60) TGFBR1ACVR1BIRAK4
SCHEMBL25942893 0.75 TGFBR1 (0.43) TGFBR1DYRK1AACVR1BSCN5AIRAK4
SCHEMBL25942612 0.74 TGFBR1 (0.52) TGFBR1DYRK1ASCN5AIRAK4HTR3E
SCHEMBL2750457 0.73 TGFBR1 (0.51) TGFBR1DYRK1ASCN5A
SCHEMBL3359544 0.71 TGFBR1 (0.53) TGFBR1ACVR1BIRAK4
SCHEMBL25942083 0.70 TGFBR1 (0.55) TGFBR1DYRK1AACVR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 1681/4885DYRK1A 4733/4885ACVR1B 884/4885

“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.

Send feedback