SCHEMBL3720125

SCHEMBL3720125

CN(C)c1nc(CN)cc(-c2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ADORA3 P0DMS8 1/20 0.39
LTA4H P09960 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TOP1 P11387 1/20 0.37
IDH2 P48735 1/20 0.37
SCN9A Q15858 1/20 0.37
NPBWR1 P48145 1/20 0.37
RAB9A P51151 1/20 0.37
RAD51 Q06609 1/20 0.37
TLR8 Q9NR97 1/20 0.37
PPARD Q03181 1/20 0.36
DPP4 P27487 1/20 0.36
MAOB P27338 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KIF11 P52732 1/20 0.35

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
Hydrochloric Acid SCHEMBL18224168 0.99 CTSS (0.45) CTSSCTSKMAPTSMN1; SMN2ADORA3
SCHEMBL3724772 0.86 PIM1 (0.44) CTSSCTSKMAPTADORA3LTA4H
SCHEMBL3725421 0.82 DPP4 (0.50) CTSSCTSKADORA3LTA4HTOP1
SCHEMBL18223601 0.82 KCNH2 (0.41) MAPTTDP1
SCHEMBL18223567 0.82 IDH2 (0.37) CTSSCTSKMAPTSMN1; SMN2IDH2
SCHEMBL3727413 0.81 CTSS (0.49) CTSSCTSKADORA3LTA4HTOP1
SCHEMBL3717919 0.80 CTSS (0.47) CTSSCTSKADORA3LTA4HTOP1
SCHEMBL3724728 0.80 KDM4E (0.49) CTSSCTSKADORA3LTA4HTOP1
SCHEMBL3724702 0.79 CTSS (0.47) CTSSCTSKMAPTADORA3LTA4H
SCHEMBL3721095 0.78 HSD17B10 (0.49) CTSSCTSKMAPTADORA3LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8614201-B2 Heterocyclic amides as modulators of TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2013-12-24 US claimed
WO-2010141805-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 WO claimed
US-10626112-B2 Heterocyclic sulfonamide derivative and medicine comprising same EA PHARMA CO., LTD. (JP) 2020-04-21 US disclosed
US-20180162844-A1 CYCLOPROPANE DERIVATIVE AND DRUG CONTAINING SAME EA PHARMA CO., LTD. (JP) 2018-06-14 US disclosed
US-20180162844-A1 CYCLOPROPANE DERIVATIVE AND DRUG CONTAINING SAME EA PHARMA CO., LTD. (JP) 2018-06-14 US disclosed
US-20160332999-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVE AND MEDICINE COMPRISING SAME EA PHARMA CO., LTD. (JP) 2016-11-17 US disclosed
US-20160332999-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVE AND MEDICINE COMPRISING SAME EA PHARMA CO., LTD. (JP) 2016-11-17 US disclosed
US-8614201-B2 Heterocyclic amides as modulators of TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2013-12-24 US disclosed
WO-2010141805-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 WO 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-20160332999-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVE AND MEDICINE COMPRISING SAME TRPA1, TRPV1, TRPV2 CTSS 1700/4885CTSK 2262/4885MAPT 1667/4885
US-10626112-B2 Heterocyclic sulfonamide derivative and medicine comprising same TRPA1, TRPV1, TRPV2 CTSS 1700/4885CTSK 2262/4885MAPT 1667/4885
US-20180162844-A1 CYCLOPROPANE DERIVATIVE AND DRUG CONTAINING SAME TRPA1, TRPV1, TRPV2 CTSS 2205/4885CTSK 1910/4885MAPT 1289/4885

“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.