SCHEMBL25837946

SCHEMBL25837946

Cn1ccc(-c2cc(-c3ccc(F)cc3)ncc2CNC(=O)OC(C)(C)C)n1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 5/20 0.46
GRM2 Q14416 2/20 0.43
SCN4A P35499 2/20 0.40
CASP6 P55212 1/20 0.39
JMJD6 Q6NYC1 1/20 0.38
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
HTR2C P28335 2/20 0.36
MCHR1 Q99705 2/20 0.36
SCN9A Q15858 1/20 0.35
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35
ATR Q13535 1/20 0.35
NAMPT P43490 1/20 0.35
AAK1 Q2M2I8 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
SCHEMBL30509985 1.00 NTRK1 (0.46) NTRK1GRM2SCN4ACASP6JMJD6
SCHEMBL25835895 0.87 GRM2 (0.43) NTRK1GRM2SCN4AALOX5APFEN1
SCHEMBL30510167 0.87 GRM2 (0.43) NTRK1GRM2SCN4AALOX5APFEN1
SCHEMBL30510098 0.86 AR (0.40) NTRK1GRM2ALOX5APFEN1AAK1
SCHEMBL25835853 0.86 AR (0.40) NTRK1GRM2ALOX5APFEN1AAK1
SCHEMBL25302222 0.86 NTRK1 (0.43) NTRK1GRM2SCN4ACASP6JMJD6
SCHEMBL30510161 0.84 GRM2 (0.41) NTRK1GRM2ALOX5APFEN1HTR2C
SCHEMBL25836028 0.84 GRM2 (0.41) NTRK1GRM2ALOX5APFEN1HTR2C
SCHEMBL25839155 0.84 GRM2 (0.43) NTRK1GRM2
SCHEMBL29786436 0.83 NTRK1 (0.44) NTRK1GRM2CASP6

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 NTRK1 3857/4885GRM2 4239/4885SCN4A 4415/4885
US-12030866-B2 2-pyrazole anilines and related analogs for inhibiting YAP/TAZ-TEAD YAP1, TEAD3, TEAD2 NTRK1 3857/4885GRM2 4239/4885SCN4A 4415/4885

“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.