SCHEMBL17570604

SCHEMBL17570604

N#Cc1c(-n2c3ccncc3c3cnccc32)c(C#N)c(-n2c3ccncc3c3cnccc32)c(C#N)c1-n1c2ccncc2c2cnccc21

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.39
CYP11B2 P19099 2/20 0.38
MAOA P21397 5/20 0.37
MAOB P27338 4/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
ACHE P22303 1/20 0.37
KDM5A P29375 1/20 0.36
KDM5C P41229 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
PDE10A Q9Y233 3/20 0.36
HTT P42858 1/20 0.36
PDE9A O76083 2/20 0.35
CYP19A1 P11511 1/20 0.34
CYP11B1 P15538 1/20 0.34
DHODH Q02127 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
SCHEMBL17570608 0.92 MAOA (0.49) ELANECYP11B2MAOAMAOBNCOA3
SCHEMBL17570642 0.85 KDM5A (0.40) ELANECYP11B2MAOANCOA3KDM5A
SCHEMBL17570523 0.83 DDB1 (0.40) ELANECYP11B2MAOAMAOBNCOA3
SCHEMBL16127461 0.82 CYP11B2 (0.46) ELANECYP11B2MAOAMAOBNCOA3
SCHEMBL23983292 0.78 CYP11B2 (0.41) CYP11B2MAOAMAOBNCOA3ACHE
SCHEMBL23984106 0.78 CYP11B2 (0.41) CYP11B2MAOAMAOBNCOA3ACHE
SCHEMBL31272939 0.78 CYP11B2 (0.41) CYP11B2MAOAMAOBNCOA3ACHE
SCHEMBL31273354 0.76 CYP11B2 (0.50) CYP11B2MAOAMAOBACHEPDE10A
SCHEMBL16127254 0.76 PDE10A (0.38) CYP11B2MAOANCOA3PDE10ACYP11B1
SCHEMBL17570560 0.76 NCOA3 (0.40) ELANEMAOAMAOBNCOA3ACHE

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 4 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

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 ELANE 232/4885CYP11B2 395/4885MAOA 34/4885
US-10193079-B2 Materials for electronic devices AOC3, AOC2, AOC1 ELANE 232/4885CYP11B2 395/4885MAOA 34/4885

“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.