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Sugi Predict / Compounds / SCHEMBL25835853

SCHEMBL25835853

SCHEMBL25835853

CC(C)(C)OC(=O)NCc1cnc(-c2ccc(F)cc2)cc1-c1ccn(CC#N)n1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 2/20 0.40
▸ GRM2 Q14416 1/20 0.39
▸ NTRK1 P04629 1/20 0.37
▸ CTSS P25774 2/20 0.36
▸ CTSK P43235 2/20 0.36
▸ RIPK3 Q9Y572 1/20 0.35
▸ NSD2 O96028 1/20 0.34
▸ ALOX5AP P20292 1/20 0.34
▸ FEN1 P39748 1/20 0.34
▸ TRPA1 O75762 4/20 0.34
▸ JAK2 O60674 3/20 0.34
▸ JAK1 P23458 3/20 0.34
▸ PRKAA2 P54646 1/20 0.34
▸ AAK1 Q2M2I8 2/20 0.33
▸ TYK2 P29597 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ PRMT5 O14744 1/20 0.33
▸ WDR77 Q9BQA1 1/20 0.33

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
SCHEMBL30510098 1.00 AR (0.40) ARGRM2NTRK1CTSSCTSK
SCHEMBL25835895 0.87 GRM2 (0.43) ARGRM2NTRK1ALOX5APFEN1
SCHEMBL30510167 0.87 GRM2 (0.43) ARGRM2NTRK1ALOX5APFEN1
SCHEMBL25294583 0.86 AR (0.39) ARTRPA1PRKAA2
SCHEMBL30509985 0.86 NTRK1 (0.46) GRM2NTRK1ALOX5APFEN1AAK1
SCHEMBL25837946 0.86 NTRK1 (0.46) GRM2NTRK1ALOX5APFEN1AAK1
SCHEMBL30561752 0.84 GRM2 (0.36) ARGRM2NTRK1RIPK3NSD2
SCHEMBL26193301 0.84 GRM2 (0.36) ARGRM2NTRK1RIPK3NSD2
SCHEMBL26193307 0.84 GRM2 (0.39) GRM2CTSSCTSKRIPK3NSD2
SCHEMBL25255518 0.83 AR (0.37) ARTRPA1PRKAA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030866-B2 2-pyrazole anilines and related analogs for inhibiting YAP/TAZ-TEAD SPRINGWORKS THERAPEUTICS, INC. (US) 2024-07-09 — — US disclosed
US-12030866-B2 2-pyrazole anilines and related analogs for inhibiting YAP/TAZ-TEAD SPRINGWORKS THERAPEUTICS, INC. (US) 2024-07-09 — — US disclosed
WO-2023122780-A9 2-PYRAZOLE ANILINES AND RELATED ANALOGS FOR INHIBITING YAP/TAZ-TEAD THE KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-11-30 — — WO disclosed
US-20230278982-A1 2-Pyrazole Anilines and Related Analogs for Inhibiting YAP/TAZ-TEAD KU LEUVEN R&D (BE) 2023-09-07 — — US disclosed
US-20230278982-A1 2-Pyrazole Anilines and Related Analogs for Inhibiting YAP/TAZ-TEAD KU LEUVEN R&D (BE) 2023-09-07 — — US disclosed
WO-2023122780-A2 2-PYRAZOLE ANILINES AND RELATED ANALOGS FOR INHIBITING YAP/TAZ-TEAD THE KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-06-29 — — 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-20230278982-A1 2-Pyrazole Anilines and Related Analogs for Inhibiting YAP/TAZ-TEAD YAP1, TEAD3, TEAD2 AR 1991/4885GRM2 4239/4885NTRK1 3857/4885
US-12030866-B2 2-pyrazole anilines and related analogs for inhibiting YAP/TAZ-TEAD YAP1, TEAD3, TEAD2 AR 1991/4885GRM2 4239/4885NTRK1 3857/4885

“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.