SCHEMBL17570583

SCHEMBL17570583

Cc1ccc2c(c1)c1cc(C)ccc1n2-c1c(C#N)cc(-c2c(-c3ccccc3)c(-c3cc(C#N)c(-n4c5ccc(C)cc5c5cc(C)ccc54)c(C#N)c3)c(-c3ccccc3)c(-c3cc(C#N)c(-n4c5ccc(C)cc5c5cc(C)ccc54)c(C#N)c3)c2-c2ccccc2)cc1C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 2/20 0.39
PDE1C Q14123 2/20 0.39
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 6/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HPGD P15428 3/20 0.37
HSD17B10 Q99714 2/20 0.37
HTT P42858 2/20 0.37
GFER P55789 1/20 0.37
CYP1A2 P05177 4/20 0.37
GAA P10253 2/20 0.37
GLA P06280 1/20 0.37
MAOA P21397 3/20 0.36
CYP2C9 P11712 3/20 0.36
DHODH Q02127 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 2/20 0.36

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
SCHEMBL17570592 0.87 MAOA (0.41) PDE9APDE1CALDH1A1KDM4ERXFP1
SCHEMBL27018739 0.87 PDE9A (0.39) PDE9APDE1CALDH1A1KDM4ERXFP1
SCHEMBL16127590 0.86 MAOA (0.38) ALDH1A1KDM4ERXFP1HPGDMAOA
SCHEMBL22296156 0.85 HTR6 (0.32) PDE9APDE1CALDH1A1KDM4ERXFP1
SCHEMBL20596319 0.85 ALDH1A1 (0.45) PDE9APDE1CALDH1A1KDM4ERXFP1
SCHEMBL24624341 0.83 PDE1C (0.43) PDE9APDE1CALDH1A1KDM4ERXFP1
SCHEMBL24623399 0.83 PDE1C (0.43) PDE9APDE1CALDH1A1KDM4ERXFP1
SCHEMBL24623468 0.82 ALDH1A1 (0.45) PDE9APDE1CALDH1A1KDM4ERXFP1
SCHEMBL20596249 0.82 PDE1C (0.43) PDE9APDE1CALDH1A1KDM4ERXFP1
SCHEMBL24077309 0.82 ALDH1A1 (0.45) PDE9APDE1CALDH1A1KDM4ERXFP1

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 PDE9A 3297/4885PDE1C 4768/4885ALDH1A1 545/4885
US-10193079-B2 Materials for electronic devices AOC3, AOC2, AOC1 PDE9A 3297/4885PDE1C 4768/4885ALDH1A1 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.