SCHEMBL22378944

SCHEMBL22378944

N#Cc1ccc2c(c1)c1ccccc1n2-c1cc(C#N)c(-c2cccc(-c3ccccc3-n3c4ccccc4c4ccccc43)c2)cc1C#N

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.34
GABRA1 P14867 5/20 0.34
GABRG2 P18507 5/20 0.34
GABRB3 P28472 5/20 0.34
GABRA2 P47869 4/20 0.34
GABRA5 P31644 3/20 0.34
GABRA3 P34903 3/20 0.34
RORC P51449 3/20 0.33
ENPP3 O14638 1/20 0.33
PTGER4 P35408 1/20 0.33
ADRA2C P18825 1/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
HRH1 P35367 1/20 0.32
HTR6 P50406 1/20 0.32
ADORA2A P29274 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL22378627 1.00 MCL1 (0.34) MCL1GABRA1GABRG2GABRB3GABRA2
SCHEMBL22379117 0.95 RORC (0.33) GABRA1GABRG2GABRB3GABRA2GABRA5
SCHEMBL22379626 0.93 PTGER4 (0.36) MCL1RORCENPP3PTGER4CA1
SCHEMBL22378100 0.93 PTGER4 (0.36) MCL1RORCENPP3PTGER4CA1
SCHEMBL22377690 0.92 MCL1 (0.39) MCL1GABRA1GABRG2GABRB3GABRA2
SCHEMBL24831319 0.91 PRKDC (0.35) GABRA1GABRG2GABRB3GABRA2GABRA5
SCHEMBL22378514 0.91 PRKDC (0.35) GABRA1GABRG2GABRB3GABRA2GABRA5
SCHEMBL22378733 0.91 PRKDC (0.35) GABRA1GABRG2GABRB3GABRA2GABRA5
SCHEMBL26614079 0.91 PRKDC (0.35) GABRA1GABRG2GABRB3GABRA2GABRA5
SCHEMBL26614369 0.91 PRKDC (0.35) GABRA1GABRG2GABRB3GABRA2GABRA5

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 MCL1 930/4885GABRA1 1043/4885GABRG2 1996/4885
US-11800797-B2 Heterocyclic compound and organic light-emitting device including the same CRY1, CYP1A1, CRY2 MCL1 930/4885GABRA1 1043/4885GABRG2 1996/4885

“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.