SCHEMBL17987293

SCHEMBL17987293

Cc1nc(C#N)cc(-c2ccc(CF)nc2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.39
MAOB P27338 4/20 0.39
KDM4E B2RXH2 5/20 0.38
MAPT P10636 4/20 0.37
HPGD P15428 4/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 3/20 0.36
CTSK P43235 3/20 0.33
KCNH2 Q12809 2/20 0.33
GPR119 Q8TDV5 2/20 0.33
PTBP1 P26599 1/20 0.33
POLB P06746 2/20 0.33

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
SCHEMBL16635415 0.78 USP30 (0.42) KDM4EKCNH2USP30
SCHEMBL17987135 0.78 MAOA (0.35) MAOAMAOBSYK
SCHEMBL17987003 0.75 TRPA1 (0.39) MAOAMAOBKDM4EMAPTHPGD
SCHEMBL603770 0.75 KDM4E (0.51) MAOAMAOBKDM4EMAPTHPGD
SCHEMBL17987058 0.75 CYP11B2 (0.38)
SCHEMBL601167 0.75 KDM4E (0.50) MAOAMAOBKDM4EMAPTHPGD
SCHEMBL603951 0.72 MAPT (0.58) MAOAMAOBKDM4EMAPTHPGD
SCHEMBL603342 0.71 KDM4E (0.48) MAOAMAOBKDM4EMAPTHPGD
SCHEMBL27848601 0.71 MAPT (0.45) MAOAMAOBKDM4EMAPTHPGD
SCHEMBL603975 0.71 KDM4E (0.59) KDM4EMAPTHPGDALDH1A1LMNA

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 2979/4885KDM4E 4125/4885

“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.