SCHEMBL22377461

SCHEMBL22377461

N#Cc1c(-c2ccc(-n3c4ccccc4c4cccc(C#N)c43)cc2)cccc1-c1ccccc1-n1c2ccccc2c2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36
ESR2 Q92731 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
NR3C1 P04150 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PDE10A Q9Y233 1/20 0.32
PPARG P37231 2/20 0.31
DUSP3 P51452 1/20 0.31
PRKAG1 P54619 2/20 0.31
PRKAA1 Q13131 2/20 0.31
PRKAB1 Q9Y478 2/20 0.31
PDE9A O76083 1/20 0.31
PDE1C Q14123 1/20 0.31
IMPDH2 P12268 1/20 0.30
PARP1 P09874 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
SCHEMBL22378604 0.97 SMN1; SMN2 (0.36) SMN1; SMN2HIF1AESR2PDCD1CD274
SCHEMBL22378961 0.92 NR3C1 (0.32) SMN1; SMN2HIF1APDCD1CD274NR3C1
SCHEMBL22379599 0.92 NR3C1 (0.32) SMN1; SMN2HIF1APDCD1CD274NR3C1
SCHEMBL22153270 0.92 SMN1; SMN2 (0.39) SMN1; SMN2HIF1AESR2PDCD1CD274
SCHEMBL22152497 0.92 SMN1; SMN2 (0.39) SMN1; SMN2HIF1AESR2PDCD1CD274
SCHEMBL22377800 0.89 SMN1; SMN2 (0.42) SMN1; SMN2HIF1AESR2KDM4EATM
SCHEMBL22377918 0.89 SMN1; SMN2 (0.42) SMN1; SMN2HIF1AESR2KDM4EATM
SCHEMBL22378366 0.89 KDM4E (0.41) SMN1; SMN2HIF1APDCD1CD274KDM4E
SCHEMBL22153856 0.89 SMN1; SMN2 (0.37) SMN1; SMN2HIF1AESR2NR3C1KDM4E
SCHEMBL22377646 0.88 PDE10A (0.35) SMN1; SMN2HIF1AESR2NR3C1KDM4E

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 2 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
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 SMN1; SMN2 3839/4885HIF1A 844/4885ESR2 473/4885
US-11800797-B2 Heterocyclic compound and organic light-emitting device including the same CRY1, CYP1A1, CRY2 SMN1; SMN2 3839/4885HIF1A 844/4885ESR2 473/4885

“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.