SCHEMBL16159786

SCHEMBL16159786

c1ccc2c(-c3cncc(-c4cscn4)c3)c3ccccc3c(-c3cncc(-c4cscn4)c3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.41
CHEK2 O96017 1/20 0.37
CYP2A6 P11509 2/20 0.37
ALPL P05186 3/20 0.37
KDR P35968 1/20 0.36
METAP1 P53582 3/20 0.36
METAP2 P50579 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
FKBP1A P62942 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL16159929 0.89 SCN9A (0.38) SCN9ACHEK2ALPLKDRKAT6A
SCHEMBL16159768 0.89 SCN9A (0.38) SCN9ACHEK2ALPLKDRKAT6A
SCHEMBL16159896 0.88 SCN9A (0.37) SCN9ACHEK2ALPLKDRKAT6A
SCHEMBL16159882 0.88 SCN9A (0.39) SCN9ACHEK2ALPLKDRBDKRB2
SCHEMBL16159811 0.86 CYP11B1 (0.40) SCN9ACHEK2KDM4ENPC1CYP1A2
SCHEMBL16159787 0.86 SCN9A (0.43) SCN9ACHEK2ALPLKDRBDKRB2
SCHEMBL17704447 0.84 SCN9A (0.41) SCN9ACHEK2KDM4ECYP1A2CYP3A4
SCHEMBL17704325 0.83 SCN9A (0.52) SCN9ACHEK2METAP1METAP2KDM4E
SCHEMBL16159916 0.82 SCN9A (0.38) SCN9ACHEK2HDAC6BDKRB2IDO1
SCHEMBL16159395 0.82 SCN9A (0.51) SCN9ACHEK2METAP1METAP2KDM4E

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-20160118598-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME JNC CORPORATION (JP) 2016-04-28 US disclosed
US-20160118598-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME JNC CORPORATION (JP) 2016-04-28 US disclosed
WO-2014163173-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME JNC株式会社 (JP) 2014-10-09 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 (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-20160118598-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME HVCN1, VDAC1, SLC26A3 SCN9A 1007/4885CHEK2 4800/4885CYP2A6 1206/4885

“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.