SCHEMBL25833013

SCHEMBL25833013

Cn1ccc(-c2cc(-c3ccc(F)cc3)cnc2CN)n1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 1/20 0.45
GRIN2B Q13224 6/20 0.43
GRIN1 Q05586 4/20 0.43
GRM2 Q14416 1/20 0.41
CASP6 P55212 1/20 0.40
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
FYN P06241 2/20 0.38
KEAP1 Q14145 1/20 0.38
LRRK2 Q5S007 1/20 0.37
MAP4K4 O95819 1/20 0.37
NTRK1 P04629 1/20 0.37
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
CYP19A1 P11511 1/20 0.35
CCNT1 O60563 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CDK9 P50750 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
SCHEMBL25255512 0.82 GRIN2B (0.43) GRIN2BGRIN1CASP6FYNLRRK2
SCHEMBL30510021 0.82 GRIN2B (0.43) GRIN2BGRIN1CASP6FYNLRRK2
SCHEMBL25262340 0.80 SCN4A (0.48) SCN4AGRIN2BGRIN1GRM2CASP6
SCHEMBL30510083 0.79 CDK7 (0.41) SCN4AGRIN2BGRIN1GRM2CASP6
SCHEMBL25377414 0.79 CDK7 (0.41) SCN4AGRIN2BGRIN1GRM2CASP6
SCHEMBL25833333 0.78 SCN4A (0.49) SCN4AGRIN2BGRIN1GRM2CASP6
SCHEMBL25833010 0.77 SCN4A (0.45) SCN4AGRIN2BGRIN1GRM2CASP6
SCHEMBL26192909 0.75 SCN4A (0.51) SCN4AGRIN2BGRIN1GRM2CASP6
Trifluoroacetic Acid SCHEMBL30510005 0.75 GRIN2B (0.42) GRIN2BGRIN1CASP6MAP4K4
SCHEMBL20472433 0.74 CASP6 (0.45) SCN4AGRIN2BGRIN1GRM2CASP6

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

“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.