SCHEMBL25833010

SCHEMBL25833010

Cn1ccc(-c2cc(-c3ccc(F)cc3)cnc2C#N)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 1/20 0.45
GRIN1 Q05586 2/20 0.41
GRIN2B Q13224 2/20 0.41
CHEK1 O14757 1/20 0.40
SCN9A Q15858 1/20 0.38
RET P07949 2/20 0.38
CASP6 P55212 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
NTRK1 P04629 1/20 0.37
GRM2 Q14416 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
ADORA2A P29274 1/20 0.36

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
SCHEMBL26193069 0.84 TGFBR1 (0.37) GRIN2BCHEK1CYP11B1CYP11B2ALDH1A1
SCHEMBL25833132 0.83 TGFBR1 (0.38) GRIN2BCHEK1CYP11B1CYP11B2ALDH1A1
SCHEMBL25257973 0.82 GRIN1 (0.41) GRIN1GRIN2BRETCASP6CYP11B1
SCHEMBL30509969 0.82 GRIN1 (0.41) GRIN1GRIN2BRETCASP6CYP11B1
SCHEMBL25378298 0.81 SCN4A (0.49) SCN4AGRIN1GRIN2BCHEK1SCN9A
SCHEMBL26199143 0.80 SCN4A (0.48) SCN4ACHEK1SCN9ARETCYP11B1
SCHEMBL25262340 0.80 SCN4A (0.48) SCN4AGRIN1GRIN2BCASP6NTRK1
SCHEMBL26200165 0.79 EPHX2 (0.46) GRIN1GRIN2BCYP11B1CYP11B2ALDH1A1
SCHEMBL25833013 0.77 SCN4A (0.45) SCN4AGRIN1GRIN2BCASP6NTRK1
SCHEMBL25833063 0.75 ERBB2 (0.41) CHEK1CYP11B1CYP11B2ALDH1A1CYP1A2

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 SCN4A 4415/4885GRIN1 4578/4885GRIN2B 4635/4885
US-12030866-B2 2-pyrazole anilines and related analogs for inhibiting YAP/TAZ-TEAD YAP1, TEAD3, TEAD2 SCN4A 4415/4885GRIN1 4578/4885GRIN2B 4635/4885

“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.