SCHEMBL21756366

SCHEMBL21756366

CCc1ccc2ncc(C(N)=O)n2n1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 17/20 0.50
TGFBR2 P37173 8/20 0.48
FYN P06241 3/20 0.44
GRK5 P34947 2/20 0.44

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
SCHEMBL21084058 0.80 TGFBR1 (0.60) TGFBR1TGFBR2
SCHEMBL16531904 0.76 TNF (0.54) TGFBR1TGFBR2
SCHEMBL25941168 0.76 FYN (0.53) TGFBR1TGFBR2FYN
SCHEMBL23872992 0.76 AURKA (0.52) TGFBR1TGFBR2
SCHEMBL20625676 0.76 TGFBR1 (0.56) TGFBR1TGFBR2
SCHEMBL13080301 0.76 FYN (0.38) FYNGRK5
SCHEMBL2066640 0.73 TNF (0.61) TGFBR1FYNGRK5
SCHEMBL13080168 0.72 FYN (0.35) FYNGRK5
SCHEMBL13080172 0.72 FYN (0.40) FYNGRK5
SCHEMBL21637233 0.71 HTT (0.46) TGFBR1TGFBR2

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-20220064187-A1 SUBSTITUTED IMIDAZOLES FOR THE INHIBITION OF TGF-BETA AND METHODS OF TREATMENT Clavius Pharmaceuticals, LLC. 2022-03-03 US disclosed
WO-2020041562-A1 SUBSTITUTED IMIDAZOLES FOR THE INHIBITION OF TGF-BETA AND METHODS OF TREATMENT CLAVIUS PHARMACEUTICALS, LLC (US) 2020-02-27 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 (2 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 1681/4885TGFBR2 3186/4885FYN 2188/4885
US-20220064187-A1 SUBSTITUTED IMIDAZOLES FOR THE INHIBITION OF TGF-BETA AND METHODS OF TREATMENT TGFB1, TGFBR1, TGFB2 TGFBR1 2/4885TGFBR2 4/4885FYN 1374/4885

“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.