SCHEMBL16720342

SCHEMBL16720342

[c]1nccc(-c2cscn2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 2/20 0.40
KDM4B O94953 2/20 0.40
KDM5C P41229 2/20 0.40
KDM5B Q9UGL1 2/20 0.40
METAP1 P53582 6/20 0.34
METAP2 P50579 6/20 0.33
TSHR P16473 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
FKBP1A P62942 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
TDP1 Q9NUW8 1/20 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
SCHEMBL7964249 0.73 TSHR (0.50) KDM4AKDM4BKDM5CKDM5BMETAP1
SCHEMBL17701209 0.69 METAP1 (0.37) KDM4AKDM4BKDM5CKDM5BMETAP1
SCHEMBL501228 0.69 CYP2A6 (0.39) NPC1CYP3A4ADORA3CYP2C19
SCHEMBL17701251 0.69 KDM4A (0.33) KDM4AKDM4BKDM5CKDM5BMETAP1
SCHEMBL9594088 0.68 HSP90AA1 (0.37) CYP3A4CYP2D6
SCHEMBL558888 0.68 KDM4E (0.58) KDM4AKDM5CMETAP1METAP2TSHR
SCHEMBL316318 0.67 KDM4E (0.33) METAP1KDM4ENPC1TP53CYP1A2
SCHEMBL1832864 0.67 LMNA (0.43) KDM4ENPC1TP53CYP1A2CYP3A4
SCHEMBL943994 0.67 NISCH (0.39) METAP2KDM4ENPC1CYP1A2CYP2D6
SCHEMBL1743331 0.65 KDM4E (0.61) KDM4AKDM4BKDM5CKDM5BMETAP1

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
EP-3068758-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE The Wistar Institute Of Anatomy And Biology (US) 2016-09-21 EP disclosed
US-20160118598-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME JNC CORPORATION (JP) 2016-04-28 US disclosed
WO-2015073864-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE THE WISAR INSTITUTE OF ANATOMY AND BIOLOGY (US) 2015-05-21 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 KDM4A 601/4885KDM4B 686/4885KDM5C 1350/4885

“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.