SCHEMBL22377646

SCHEMBL22377646

N#Cc1cccc(-c2ccccc2-n2c3ccccc3c3ccccc32)c1-c1ccc(-n2c3ccccc3c3cccc(C#N)c32)cc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.35
DUSP3 P51452 1/20 0.34
NR3C1 P04150 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
HIF1A Q16665 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
ESR2 Q92731 1/20 0.32
CNR1 P21554 1/20 0.32
PDE9A O76083 1/20 0.32
PDE1C Q14123 1/20 0.32
IMPDH2 P12268 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MCL1 Q07820 1/20 0.30
MAPT P10636 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
SCHEMBL22378455 0.96 KDM4E (0.37) PDE10ADUSP3NR3C1KDM4EATM
SCHEMBL22378358 0.94 KDM4E (0.39) PDE10ADUSP3NR3C1KDM4EATM
SCHEMBL22377484 0.92 ESR2 (0.34) PDE10ADUSP3NR3C1KDM4EATM
SCHEMBL22378822 0.92 NR3C1 (0.33) PDE10ADUSP3NR3C1
SCHEMBL22378011 0.92 NR3C1 (0.33) PDE10ADUSP3NR3C1
SCHEMBL22379369 0.90 KDM4E (0.35) PDE10ANR3C1KDM4EATML3MBTL1
SCHEMBL22379304 0.89 ESR2 (0.34) PDE10ADUSP3NR3C1KDM4EATM
SCHEMBL22154000 0.89 KDM4E (0.34) PDE10AKDM4EATML3MBTL1KMT2A
SCHEMBL22152829 0.89 KDM4E (0.34) PDE10AKDM4EATML3MBTL1KMT2A
SCHEMBL22378444 0.88 GABRA1 (0.35) DUSP3NR3C1KDM4EATML3MBTL1

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-11800797-B2 Heterocyclic compound and organic light-emitting device including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2023-10-24 US disclosed
EP-3702349-B1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2023-01-04 EP disclosed
US-20200274074-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-08-27 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-20200274074-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CYP1A1, CRY2 PDE10A 3960/4885DUSP3 4858/4885NR3C1 1012/4885
US-11800797-B2 Heterocyclic compound and organic light-emitting device including the same CRY1, CYP1A1, CRY2 PDE10A 3960/4885DUSP3 4858/4885NR3C1 1012/4885

“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.