SCHEMBL25833333

SCHEMBL25833333

Cn1ccc(-c2cc(-c3ccc(F)cc3)ncc2CN)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 1/20 0.49
KEAP1 Q14145 1/20 0.42
GRM2 Q14416 1/20 0.42
CASP6 P55212 1/20 0.41
CYP19A1 P11511 1/20 0.39
KMT2A Q03164 2/20 0.37
NTRK1 P04629 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
JMJD6 Q6NYC1 1/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NSD2 O96028 1/20 0.36
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34

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
SCHEMBL26193077 0.84 NSD2 (0.38) SCN4AGRM2KMT2ANTRK1MEN1
SCHEMBL25295318 0.82 SCN4A (0.52) SCN4AKEAP1GRM2CASP6CYP19A1
SCHEMBL30510164 0.81 FEN1 (0.37) SCN4AKMT2AMEN1NPC1LMNA
SCHEMBL25255389 0.81 FEN1 (0.37) SCN4AKMT2AMEN1NPC1LMNA
SCHEMBL30561803 0.81 GRM2 (0.45) SCN4AKEAP1GRM2CASP6NTRK1
SCHEMBL30561846 0.81 GRM2 (0.45) SCN4AKEAP1GRM2CASP6NTRK1
SCHEMBL25302207 0.80 SCN4A (0.38) SCN4AGRM2KMT2AGRIN1GRIN2B
SCHEMBL25302222 0.80 NTRK1 (0.43) SCN4AGRM2CASP6KMT2ANTRK1
SCHEMBL30510004 0.80 SCN4A (0.38) SCN4AGRM2KMT2AGRIN1GRIN2B
SCHEMBL30510153 0.80 SCN4A (0.52) SCN4AKEAP1GRM2CASP6CYP19A1

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 5 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
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 4415/4885KEAP1 202/4885GRM2 4239/4885
US-12030866-B2 2-pyrazole anilines and related analogs for inhibiting YAP/TAZ-TEAD YAP1, TEAD3, TEAD2 SCN4A 4415/4885KEAP1 202/4885GRM2 4239/4885

“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.