SCHEMBL25830785

SCHEMBL25830785

N#Cc1cc(-c2ccc(F)cc2)cc(-c2cc[nH]n2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.42
ERBB2 P04626 1/20 0.42
GRM5 P41594 5/20 0.42
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
PGR P06401 6/20 0.38
CYP1A2 P05177 1/20 0.38
NR3C1 P04150 1/20 0.36
NR3C2 P08235 1/20 0.36
AR P10275 1/20 0.36
GCGR P47871 2/20 0.36
MAPK14 Q16539 2/20 0.36
MAP4K4 O95819 1/20 0.36
MAPK13 O15264 1/20 0.36
ALOX5 P09917 1/20 0.36
MAPK12 P53778 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
Water SCHEMBL28192673 0.79 CA12 (0.41) ERBB2MAPK14ALOX5
SCHEMBL989177 0.77 CA12 (0.42) MAPK14ALOX5
SCHEMBL1229696 0.76 GAA (0.43) GABRG2GABRB3GABRA5GABRA3CYP11B2
SCHEMBL25378423 0.75 CYP11B1 (0.47) ERBB2CYP11B1CYP11B2CYP1A2
Hydrochloric Acid SCHEMBL7809921 0.75 CA12 (0.41) MAPK14ALOX5
Hydrochloric Acid SCHEMBL25255925 0.74 CYP11B1 (0.46) ERBB2CYP11B1CYP11B2CYP1A2
SCHEMBL31339117 0.73 IDO1 (0.59) GRM5GABRG2GABRB3GABRA5GABRA3
SCHEMBL98912 0.73 IDO1 (0.59) GRM5GABRG2GABRB3GABRA5GABRA3
SCHEMBL28313237 0.73
SCHEMBL26199262 0.72 SCN4A (0.52) CYP19A1GRM5GABRG2GABRB3GABRA5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 CYP19A1 3086/4885ERBB2 2273/4885GRM5 4240/4885

“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.