Sugi Predict

Sugi Predict / Compounds / SCHEMBL29580423

SCHEMBL29580423

SCHEMBL29580423

COCc1sc(-n2nc(C)c(-c3cccc(F)c3)c2C(=O)O)nc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.44
▸ KDM4E B2RXH2 4/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ PTGER1 P34995 4/20 0.40
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ PDE2A O00408 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PTGDR2 Q9Y5Y4 3/20 0.35
▸ MDM2 Q00987 1/20 0.35
▸ PPARD Q03181 3/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ FFAR1 O14842 1/20 0.35
▸ PPARG P37231 1/20 0.35
▸ PPARA Q07869 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
SCHEMBL20214015 1.00 ALDH1A1 (0.44) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL29579221 0.91 ALDH1A1 (0.46) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL20214105 0.91 ALDH1A1 (0.46) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL29579216 0.89 ALDH1A1 (0.45) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL20213971 0.89 ALDH1A1 (0.45) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL20213956 0.89 ALDH1A1 (0.44) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL29579461 0.89 ALDH1A1 (0.44) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL20214530 0.87 PTGER1 (0.44) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL20214265 0.86 PTGER1 (0.43) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL29579307 0.86 PTGER1 (0.43) ALDH1A1KDM4EMEN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110603254-B Substituted pyrazole compounds and methods of using the same for treating hyperproliferative diseases 班塔姆制药有限责任公司 2024-04-12 — — CN claimed
CN-118930533-A Substituted pyrazole compounds and methods of using the same for treating hyperproliferative diseases 班塔姆制药有限责任公司 2024-11-12 — — CN disclosed
CN-110603254-B Substituted pyrazole compounds and methods of using the same for treating hyperproliferative diseases 班塔姆制药有限责任公司 2024-04-12 — — CN disclosed
US-11325903-B2 Substituted pyrazole compounds and methods of using them for treatment of hyperproliferative diseases BANTAM PHARMACEUTICAL, LLC (US) 2022-05-10 — — 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 (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-11325903-B2 Substituted pyrazole compounds and methods of using them for treatment of hyperproliferative diseases KRAS, TP53, CCNI ALDH1A1 355/4885KDM4E 3557/4885MEN1 2106/4885

“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.