SCHEMBL22378706

SCHEMBL22378706

N#Cc1ccc(-c2cccc(-c3cccc(C#N)c3-n3c4ccccc4c4ccccc43)c2)cc1-n1c2ccccc2c2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.34
TRPA1 O75762 1/20 0.34
GABRA1 P14867 4/20 0.33
GABRG2 P18507 4/20 0.33
GABRB3 P28472 4/20 0.33
GABRA2 P47869 4/20 0.33
CYP11B1 P15538 3/20 0.33
CYP11B2 P19099 3/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
CYP19A1 P11511 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
ESR2 Q92731 1/20 0.33
USP30 Q70CQ3 1/20 0.32
PGR P06401 2/20 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
SCHEMBL19755257 0.96 AR (0.36) ARTRPA1CYP11B1CYP11B2SMN1; SMN2
SCHEMBL22377585 0.94 ESR2 (0.36) ARTRPA1CYP11B1CYP11B2SMN1; SMN2
SCHEMBL22379033 0.92 PRKDC (0.33) ARTRPA1GABRA1GABRG2GABRB3
SCHEMBL22378232 0.92 PRKDC (0.33) ARTRPA1GABRA1GABRG2GABRB3
SCHEMBL22378361 0.91 TRPA1 (0.34) ARTRPA1GABRA1GABRG2GABRB3
SCHEMBL22377483 0.91 AR (0.35) ARTRPA1CYP11B1CYP11B2SMN1; SMN2
SCHEMBL22379426 0.90 AR (0.37) ARTRPA1GABRA1GABRG2GABRB3
SCHEMBL22379313 0.89 KDM4E (0.38) TRPA1GABRA1GABRG2GABRB3GABRA2
SCHEMBL19755299 0.89 PTGER4 (0.33) ARTRPA1CYP11B1CYP11B2ESR2
SCHEMBL22377550 0.88 KDM4E (0.39) TRPA1GABRA1GABRG2GABRB3GABRA2

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 AR 2426/4885TRPA1 30/4885GABRA1 1043/4885
US-11800797-B2 Heterocyclic compound and organic light-emitting device including the same CRY1, CYP1A1, CRY2 AR 2426/4885TRPA1 30/4885GABRA1 1043/4885

“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.