SCHEMBL29446490

SCHEMBL29446490

FC(F)(F)c1ccc(-c2cc(C(F)(F)F)ncn2)cn1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.49
BCR P11274 1/20 0.49
TRPV4 Q9HBA0 1/20 0.46
CA2 P00918 1/20 0.44
CHKA P35790 1/20 0.44
PIK3CA P42336 2/20 0.43
PI4KB Q9UBF8 2/20 0.43
KCNH2 Q12809 2/20 0.43
MAP4K4 O95819 1/20 0.43
MINK1 Q8N4C8 1/20 0.43
TRPA1 O75762 2/20 0.42
PIK3CD O00329 1/20 0.42
PIK3CB P42338 1/20 0.42
PI4KA P42356 1/20 0.42
PIK3CG P48736 1/20 0.42

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
SCHEMBL16903669 0.90 ABL1 (0.45) ABL1BCRTRPV4PIK3CAPI4KB
SCHEMBL28155918 0.85 ABL1 (0.46) ABL1BCRTRPV4PIK3CAPI4KB
SCHEMBL16894253 0.85 ABL1 (0.46) ABL1BCRTRPV4PIK3CAPI4KB
SCHEMBL16906526 0.85 ABL1 (0.46) ABL1BCRTRPV4PIK3CAPI4KB
SCHEMBL16903677 0.81 TRPA1 (0.44) ABL1BCRPIK3CAPI4KBKCNH2
SCHEMBL28017373 0.81 ABL1 (0.55) ABL1BCRPIK3CAPI4KBKCNH2
SCHEMBL16894281 0.81 KMO (0.52) ABL1BCRTRPV4PIK3CAPI4KB
SCHEMBL3721013 0.81 TRPA1 (0.47) ABL1BCRTRPA1
SCHEMBL29411236 0.81 KMO (0.52) ABL1BCRTRPV4PIK3CAPI4KB
Hydrochloric Acid SCHEMBL16635050 0.80 TRPA1 (0.47) ABL1BCRTRPA1

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-12637436-B2 Metabotropic glutamate receptor negative allosteric modulators (NAMs) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2026-05-26 US disclosed
US-20230113588-A1 METABOTROPIC GLUTAMATE RECEPTOR NEGATIVE ALLOSTERIC MODULATORS (NAMS) AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute 2023-04-13 US disclosed
US-11447453-B2 Metabotropic glutamate receptor negative allosteric modulators (NAMs) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2022-09-20 US disclosed
EP-3154954-B1 METABOTROPIC GLUTAMATE RECEPTOR NEGATIVE ALLOSTERIC MODULATORS (NAMS) AND USES THEREOF SANFORD BURNHAM MED RES INST (US) 2022-02-09 EP 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 (3 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-11447453-B2 Metabotropic glutamate receptor negative allosteric modulators (NAMs) and uses thereof GRM3, GRM2, GRM1 ABL1 3496/4885BCR 3909/4885TRPV4 497/4885
US-20230113588-A1 METABOTROPIC GLUTAMATE RECEPTOR NEGATIVE ALLOSTERIC MODULATORS (NAMS) AND USES THEREOF GRM3, GRM2, GRM1 ABL1 3496/4885BCR 3909/4885TRPV4 497/4885
US-12637436-B2 Metabotropic glutamate receptor negative allosteric modulators (NAMs) and uses thereof GRM3, GRM2, GRM1 ABL1 2705/4885BCR 3665/4885TRPV4 334/4885

“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.