SCHEMBL17570592

SCHEMBL17570592

Cc1ccc2c(c1)c1cc(C)ccc1n2-c1c(C#N)cc(-c2c(C)c(-c3cc(C#N)c(-n4c5ccc(C)cc5c5cc(C)ccc54)c(C#N)c3)c(C)c(-c3cc(C#N)c(-n4c5ccc(C)cc5c5cc(C)ccc54)c(C#N)c3)c2C)cc1C#N

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.41
MAOB P27338 5/20 0.38
AR P10275 1/20 0.34
IMPDH2 P12268 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
ALDH1A1 P00352 3/20 0.32
CYP2A6 P11509 1/20 0.32
PDE9A O76083 1/20 0.32
PDE1C Q14123 1/20 0.32
KDM4E B2RXH2 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HPGD P15428 1/20 0.31
NT5E P21589 1/20 0.31

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
SCHEMBL16127590 0.89 MAOA (0.38) MAOAMAOBARIMPDH2PTGDR2
SCHEMBL17570583 0.87 PDE9A (0.39) MAOAMAOBALDH1A1PDE9APDE1C
SCHEMBL17570661 0.84 MAOA (0.36) MAOAMAOBPTGDR2ALDH1A1KDM4E
SCHEMBL22140537 0.83 MAOA (0.35) MAOAMAOBIMPDH2PTGDR2ALDH1A1
SCHEMBL16127484 0.83 ALDH1A1 (0.38) MAOAMAOBIMPDH2PTGDR2ALDH1A1
SCHEMBL20309469 0.81 PTGDR2 (0.38) MAOAMAOBARIMPDH2PTGDR2
SCHEMBL27018739 0.78 PDE9A (0.39) MAOAMAOBARALDH1A1PDE9A
SCHEMBL24241423 0.77 IMPDH2 (0.39) IMPDH2ALDH1A1KDM4ESMN1; SMN2RXFP1
SCHEMBL17570558 0.77 KDM4E (0.35) MAOAMAOBARALDH1A1PDE9A
SCHEMBL21426637 0.77 KDM5A (0.33) MAOAMAOBAR

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-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
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 MAOA 34/4885MAOB 10/4885AR 2849/4885
US-10193079-B2 Materials for electronic devices AOC3, AOC2, AOC1 MAOA 34/4885MAOB 10/4885AR 2849/4885

“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.