SCHEMBL16127476

SCHEMBL16127476

N#Cc1c(-c2ccccc2)c(C#N)c(-n2c3ccccc3c3ccccc32)c(C#N)c1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR3A P46098 1/20 0.44
▸ KDM4E B2RXH2 7/20 0.43
▸ ALDH1A1 P00352 7/20 0.43
▸ RXFP1 Q9HBX9 3/20 0.43
▸ LMNA P02545 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ NCOA3 Q9Y6Q9 1/20 0.43
▸ PDE9A O76083 2/20 0.42
▸ PDE1C Q14123 1/20 0.42
▸ ATM Q13315 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ALOX15 P16050 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ PARP1 P09874 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CYP11B2 P19099 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ SRC P12931 1/20 0.38
▸ ADRA2A P08913 1/20 0.38

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
SCHEMBL13921497 0.98 HTR3A (0.45) HTR3AKDM4EALDH1A1RXFP1LMNA
SCHEMBL23057293 0.94 HTR3A (0.42) HTR3AKDM4EALDH1A1RXFP1LMNA
SCHEMBL21437111 0.93 HTR3A (0.44) HTR3AKDM4EALDH1A1RXFP1LMNA
SCHEMBL21437141 0.93 HTR3A (0.44) HTR3AKDM4EALDH1A1RXFP1LMNA
SCHEMBL21973683 0.93 HTR3A (0.44) HTR3AKDM4EALDH1A1RXFP1LMNA
SCHEMBL23057364 0.93 HTR3A (0.44) HTR3AKDM4EALDH1A1RXFP1LMNA
SCHEMBL17545775 0.93 PDE9A (0.45) HTR3AKDM4EALDH1A1RXFP1LMNA
SCHEMBL22216776 0.92 HTR3A (0.45) HTR3AKDM4EALDH1A1RXFP1LMNA
SCHEMBL24623466 0.90 PDE9A (0.43) HTR3AKDM4EALDH1A1RXFP1LMNA
SCHEMBL21304086 0.90 HTR3A (0.44) HTR3AKDM4EALDH1A1RXFP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3375785-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-08-05 — — EP disclosed
US-10193079-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2019-01-29 — — US disclosed
EP-2976329-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2018-06-27 — — EP disclosed
US-20160072076-A1 MATERIALS FOR ELECTRONIC DEVICES UDC IRELAND LIMITED (IE) 2016-03-10 — — US disclosed
WO-2014146752-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2014-09-25 — — 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 (2 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-20160072076-A1 MATERIALS FOR ELECTRONIC DEVICES AOC3, AOC2, AOC1 HTR3A 485/4885KDM4E 2957/4885ALDH1A1 545/4885
US-10193079-B2 Materials for electronic devices AOC3, AOC2, AOC1 HTR3A 485/4885KDM4E 2957/4885ALDH1A1 545/4885

“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.

Send feedback