SCHEMBL20596186

SCHEMBL20596186

N#Cc1c(-c2ccccc2-n2c3ccccc3c3ccccc32)c(-c2ccccc2)c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(-c2ccccc2)c1-c1ccccc1-n1c2ccccc2c2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 2/20 0.35
PDE1C Q14123 1/20 0.35
HTR3A P46098 1/20 0.34
TSPO P30536 1/20 0.34
PARP1 P09874 1/20 0.32
ALDH1A1 P00352 3/20 0.32
GRIA4 P48058 3/20 0.32
GRIA2 P42262 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31
KDM4E B2RXH2 2/20 0.31
RXFP1 Q9HBX9 2/20 0.31
LMNA P02545 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
POLB P06746 1/20 0.31
EDNRB P24530 1/20 0.30
EDNRA P25101 1/20 0.30

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
SCHEMBL21377946 0.90 TSPO (0.34) PDE9APDE1CHTR3ATSPOPARP1
SCHEMBL21913738 0.87 PDE9A (0.39) PDE9APDE1CHTR3ATSPOPARP1
SCHEMBL20596286 0.85 GRIA4 (0.38) PDE9APDE1CHTR3AALDH1A1GRIA4
SCHEMBL20596457 0.84 PDE9A (0.39) PDE9APDE1CHTR3ATSPOPARP1
SCHEMBL20596407 0.84 PDE9A (0.39) PDE9APDE1CHTR3ATSPOPARP1
SCHEMBL20596200 0.84 PDE9A (0.39) PDE9APDE1CHTR3ATSPOPARP1
SCHEMBL21840860 0.84 PDE9A (0.39) PDE9APDE1CHTR3ATSPOPARP1
SCHEMBL21454596 0.84 PDE9A (0.39) PDE9APDE1CHTR3ATSPOPARP1
SCHEMBL20595978 0.83 KDM4E (0.45) PDE9APDE1CHTR3ATSPOALDH1A1
SCHEMBL20596547 0.83 KDM4E (0.45) PDE9APDE1CHTR3ATSPOALDH1A1

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
US-11638390-B2 Composition of matter for use in organic light-emitting diodes KYULUX, INC. (JP) 2023-04-25 US disclosed
US-20200119287-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES KYULUX, INC. (JP) 2020-04-16 US disclosed
WO-2018237389-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES Kyulux Inc. (JP) 2018-12-27 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-20200119287-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES CRY2, CLTB, CYBA PDE9A 4262/4885PDE1C 4873/4885HTR3A 605/4885
US-11638390-B2 Composition of matter for use in organic light-emitting diodes CRY2, CLTB, CYBA PDE9A 4262/4885PDE1C 4873/4885HTR3A 605/4885

“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.