SCHEMBL16906526

SCHEMBL16906526

Cc1cc(-c2ccc(C(F)(F)F)nc2)ncn1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.46
BCR P11274 1/20 0.46
KCNH2 Q12809 3/20 0.44
PIK3CA P42336 3/20 0.44
PI4KB Q9UBF8 2/20 0.44
MAP4K4 O95819 1/20 0.44
MINK1 Q8N4C8 1/20 0.44
TRPA1 O75762 2/20 0.42
TRPV4 Q9HBA0 1/20 0.42
MTOR P42345 1/20 0.41
KIT P10721 1/20 0.40
SLC34A1 Q06495 2/20 0.40
TRPV3 Q8NET8 1/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CB P42338 1/20 0.40
PI4KA P42356 1/20 0.40
PIK3CG P48736 1/20 0.40

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
SCHEMBL29446490 0.85 ABL1 (0.49) ABL1BCRKCNH2PIK3CAPI4KB
SCHEMBL16903669 0.83 ABL1 (0.45) ABL1BCRKCNH2PIK3CAPI4KB
SCHEMBL16894253 0.81 ABL1 (0.46) ABL1BCRKCNH2PIK3CAPI4KB
SCHEMBL28155918 0.81 ABL1 (0.46) ABL1BCRKCNH2PIK3CAPI4KB
SCHEMBL28017373 0.80 ABL1 (0.55) ABL1BCRKCNH2PIK3CAPI4KB
SCHEMBL16903677 0.80 TRPA1 (0.44) ABL1BCRKCNH2PIK3CAPI4KB
Hydrochloric Acid SCHEMBL28017385 0.79 ABL1 (0.54) ABL1BCRKCNH2PIK3CAPI4KB
SCHEMBL15933190 0.78 MAPT (0.49)
SCHEMBL12954522 0.78 ABL1 (0.50) ABL1BCR
SCHEMBL17247907 0.77 CYP2A6 (0.53) ABL1BCRKCNH2PIK3CAPI4KB

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
EP-2900642-B1 SUBSTITUTED SULFONAMIDE COMPOUNDS HOFFMANN LA ROCHE (CH) 2018-02-28 EP disclosed
US-9580411-B2 Substituted sulfonamide compounds HOFFMANN-LA ROCHE INC. (US) 2017-02-28 US disclosed
US-20150197509-A1 SUBSTITUTED SULFONAMIDE SOLUTIONS GENENTECH, INC. (US) 2015-07-16 US 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-20150197509-A1 SUBSTITUTED SULFONAMIDE SOLUTIONS TRPA1, TRPV1, TRPV5 ABL1 1402/4885BCR 1371/4885KCNH2 84/4885

“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.