SCHEMBL16903669

SCHEMBL16903669

CC(C)(C)c1cc(-c2ccc(C(F)(F)F)nc2)ncn1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.45
BCR P11274 1/20 0.45
KCNH2 Q12809 3/20 0.43
MAP4K4 O95819 1/20 0.43
PIK3CA P42336 1/20 0.43
MINK1 Q8N4C8 1/20 0.43
PI4KB Q9UBF8 1/20 0.43
TRPA1 O75762 2/20 0.41
TRPV4 Q9HBA0 1/20 0.41
TRPV3 Q8NET8 1/20 0.39

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 0.90 ABL1 (0.49) ABL1BCRKCNH2MAP4K4PIK3CA
SCHEMBL16906526 0.83 ABL1 (0.46) ABL1BCRKCNH2MAP4K4PIK3CA
SCHEMBL10220818 0.83 MAPT (0.38)
SCHEMBL16903662 0.81 ABL1 (0.48) ABL1BCR
SCHEMBL28155918 0.79 ABL1 (0.46) ABL1BCRKCNH2MAP4K4PIK3CA
SCHEMBL16894253 0.79 ABL1 (0.46) ABL1BCRKCNH2MAP4K4PIK3CA
SCHEMBL16903677 0.79 TRPA1 (0.44) ABL1BCRKCNH2MAP4K4PIK3CA
SCHEMBL28017373 0.79 ABL1 (0.55) ABL1BCRKCNH2MAP4K4PIK3CA
Hydrochloric Acid SCHEMBL28017385 0.78 ABL1 (0.54) ABL1BCRKCNH2MAP4K4PIK3CA
SCHEMBL10219992 0.77 MKNK1 (0.43) KCNH2PIK3CA

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
US-9580411-B2 Substituted sulfonamide compounds HOFFMANN-LA ROCHE INC. (US) 2017-02-28 US 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.