SCHEMBL25835971

SCHEMBL25835971

CC(C)(C)OC(=O)NCc1cnc(-c2ccc(F)cc2)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 7/20 0.46
GRM2 Q14416 1/20 0.45
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
TRPA1 O75762 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
IDO1 P14902 2/20 0.39
PDPK1 O15530 1/20 0.39
STK17B O94768 1/20 0.39
STK17A Q9UEE5 1/20 0.39
HTR2C P28335 1/20 0.38
MCHR1 Q99705 1/20 0.38
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
P2RX7 Q99572 1/20 0.38

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
SCHEMBL30510026 1.00 AAK1 (0.46) AAK1GRM2ROCK2ROCK1TRPA1
SCHEMBL25257470 0.86 GRM2 (0.44) AAK1GRM2PDPK1HTR2CMCHR1
SCHEMBL25256016 0.85 GRM2 (0.43) AAK1GRM2HTR2CMCHR1ACACB
SCHEMBL30510061 0.84 GRM2 (0.45) AAK1GRM2HTR2CMCHR1ACACB
SCHEMBL25836433 0.84 GRM2 (0.45) AAK1GRM2HTR2CMCHR1ACACB
SCHEMBL25258828 0.82 TP53 (0.43) ROCK2ROCK1TRPA1P2RX7
SCHEMBL30510044 0.82 GRM2 (0.42) GRM2HTR2CMCHR1ACACBACACA
SCHEMBL25837090 0.82 GRM2 (0.42) GRM2HTR2CMCHR1ACACBACACA
SCHEMBL25835553 0.82 GRM2 (0.44) AAK1GRM2ROCK1PDPK1HTR2C
SCHEMBL30509985 0.81 NTRK1 (0.46) AAK1GRM2HTR2CMCHR1ACACB

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 AAK1 1501/4885GRM2 4239/4885ROCK2 277/4885
US-12030866-B2 2-pyrazole anilines and related analogs for inhibiting YAP/TAZ-TEAD YAP1, TEAD3, TEAD2 AAK1 1501/4885GRM2 4239/4885ROCK2 277/4885

“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.