SCHEMBL22378397

SCHEMBL22378397

N#Cc1cc(-n2c3ccccc3c3ccccc32)c(C#N)cc1-c1ccc(-c2ccccc2-n2c3ccccc3c3ccccc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MCL1 Q07820 1/20 0.37
ESR2 Q92731 1/20 0.37
IMPDH2 P12268 1/20 0.36
PPARG P37231 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TRPA1 O75762 1/20 0.35
USP8 P40818 1/20 0.34
USP7 Q93009 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
CNR1 P21554 4/20 0.33
CNR2 P34972 3/20 0.33
NR3C1 P04150 1/20 0.33

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
SCHEMBL22379506 0.94 ESR2 (0.37) CYP1A2CYP2C9CYP2C19NPSR1MCL1
SCHEMBL22377690 0.92 MCL1 (0.39) CYP1A2CYP2C9CYP2C19NPSR1MCL1
SCHEMBL22378100 0.91 PTGER4 (0.36) CYP1A2CYP2C9CYP2C19NPSR1MCL1
SCHEMBL22379626 0.91 PTGER4 (0.36) CYP1A2CYP2C9CYP2C19NPSR1MCL1
SCHEMBL22377516 0.91 KDM4E (0.40) CYP1A2CYP2C9CYP2C19NPSR1MCL1
SCHEMBL25106471 0.90 IMPDH2 (0.39) CYP1A2CYP2C9CYP2C19NPSR1MCL1
SCHEMBL22378784 0.89 ESR2 (0.37) ESR2IMPDH2PPARGKDM4EATM
SCHEMBL28367818 0.89 CYP1A2 (0.40) CYP1A2CYP2C9CYP2C19NPSR1MCL1
SCHEMBL19755251 0.88 AR (0.40) ESR2IMPDH2KDM4EATML3MBTL1
SCHEMBL22377457 0.88 USP8 (0.39) CYP1A2CYP2C9CYP2C19NPSR1MCL1

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
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 CYP1A2 9/4885CYP2C9 22/4885CYP2C19 15/4885
US-11800797-B2 Heterocyclic compound and organic light-emitting device including the same CRY1, CYP1A1, CRY2 CYP1A2 9/4885CYP2C9 22/4885CYP2C19 15/4885

“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.