SCHEMBL17987135

SCHEMBL17987135

Cc1nc(CN)cc(-c2ccc(CF)nc2)n1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
GRM2 Q14416 3/20 0.33
PRMT5 O14744 2/20 0.33
WDR77 Q9BQA1 2/20 0.33
PDE10A Q9Y233 1/20 0.33
TRPA1 O75762 1/20 0.32
KMO O15229 1/20 0.31
SYK P43405 1/20 0.30
IRAK4 Q9NWZ3 1/20 0.30
AAK1 Q2M2I8 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC5 Q9UQL6 1/20 0.30

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
SCHEMBL16647793 0.81 TRPA1 (0.46) TRPA1
Hydrochloric Acid SCHEMBL16634898 0.80 TRPA1 (0.45) TRPA1
Hydrochloric Acid SCHEMBL16634984 0.79 TRPA1 (0.44) PDE10ATRPA1
SCHEMBL17987293 0.78 MAOA (0.39) MAOAMAOBSYK
SCHEMBL17987107 0.74 GRM2 (0.34) GRM2PRMT5WDR77AAK1
SCHEMBL3727413 0.74 CTSS (0.49) MAOB
SCHEMBL18236586 0.70 PRMT5 (0.36) GRM2PRMT5WDR77AAK1
SCHEMBL17987104 0.70 LOXL2 (0.37) GRM2PRMT5WDR77
SCHEMBL20390659 0.66 LTA4H (0.43) GRM2
SCHEMBL13696587 0.66 ACHE (0.50) HDAC1HDAC6HDAC5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160221945-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2016-08-04 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-20160221945-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 MAOA 2492/4885MAOB 2979/4885GRM2 619/4885

“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.