SCHEMBL17570523

SCHEMBL17570523

N#Cc1c(-n2c3ccncc3c3cccnc32)c(C#N)c(-n2c3ccncc3c3cccnc32)c(C#N)c1-n1c2ccncc2c2cccnc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
CYP11B2 P19099 1/20 0.39
KDM4D Q6B0I6 3/20 0.36
MAOA P21397 4/20 0.35
MAOB P27338 4/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
ACHE P22303 1/20 0.35
ELANE P08246 5/20 0.35
DHODH Q02127 1/20 0.35
PDE10A Q9Y233 1/20 0.35
CLK1 P49759 1/20 0.34
CLK2 P49760 1/20 0.34
CLK3 P49761 1/20 0.34
CDK5 Q00535 1/20 0.34
DYRK1A Q13627 1/20 0.34
CDK5R1 Q15078 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
LRRK2 Q5S007 1/20 0.34

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
SCHEMBL16127452 0.85 CYP11B2 (0.40) CYP11B2KDM4DACHEELANE
SCHEMBL17570604 0.83 ELANE (0.39) CYP11B2MAOAMAOBNCOA3ACHE
SCHEMBL16127401 0.83 KDM4D (0.43) KDM4DELANELRRK2
SCHEMBL17570608 0.82 MAOA (0.49) DDB1CRBNCYP11B2MAOAMAOB
SCHEMBL23984106 0.78 CYP11B2 (0.41) DDB1CRBNCYP11B2MAOAMAOB
SCHEMBL23983292 0.78 CYP11B2 (0.41) DDB1CRBNCYP11B2MAOAMAOB
SCHEMBL16127336 0.77 ALDH1A1 (0.41) CYP11B2KDM4DNCOA3ELANE
SCHEMBL17570678 0.77 KDM4D (0.40) CYP11B2KDM4DELANE
SCHEMBL29914839 0.74 ALDH1A1 (0.40) CYP11B2KDM4DNCOA3ELANE
SCHEMBL16127461 0.74 CYP11B2 (0.46) CYP11B2MAOAMAOBNCOA3ACHE

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 DDB1 3387/4885CRBN 2214/4885CYP11B2 395/4885
US-10193079-B2 Materials for electronic devices AOC3, AOC2, AOC1 DDB1 3387/4885CRBN 2214/4885CYP11B2 395/4885

“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.