SCHEMBL17969999

SCHEMBL17969999

N#Cc1ccccc1-c1cc(-c2ccccc2)nc(-c2cccc3c(-c4nc(-c5ccccc5)cc(-c5ccccc5C#N)n4)cccc23)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 1/20 0.51
GABRB3 P28472 1/20 0.51
GABRA5 P31644 1/20 0.51
GABRA3 P34903 1/20 0.51
SQOR Q9Y6N5 4/20 0.46
ADORA2A P29274 3/20 0.44
ADORA1 P30542 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPK1 P28482 2/20 0.44
KMT2A Q03164 4/20 0.42
HPGD P15428 4/20 0.42
LMNA P02545 4/20 0.42
KDM4E B2RXH2 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
ATR Q13535 1/20 0.41
MAPT P10636 3/20 0.41
ACP1 P24666 1/20 0.41
MEN1 O00255 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41

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
SCHEMBL17970000 0.90 GABRG2 (0.48) GABRG2GABRB3GABRA5GABRA3SQOR
SCHEMBL31663524 0.89 GABRG2 (0.55) GABRG2GABRB3GABRA5GABRA3SQOR
SCHEMBL31663531 0.89 GABRG2 (0.58) GABRG2GABRB3GABRA5GABRA3SQOR
SCHEMBL23383796 0.85 GABRG2 (0.49) GABRG2GABRB3GABRA5GABRA3SQOR
SCHEMBL26220090 0.85 GABRG2 (0.51) GABRG2GABRB3GABRA5GABRA3SQOR
SCHEMBL23384190 0.85 MEN1 (0.54) GABRG2GABRB3GABRA5GABRA3SQOR
SCHEMBL26220093 0.84 MCL1 (0.43) GABRG2GABRB3GABRA5GABRA3SQOR
SCHEMBL26220094 0.84 GABRG2 (0.50) GABRG2GABRB3GABRA5GABRA3SQOR
SCHEMBL17970009 0.83 MEN1 (0.54) ADORA2AADORA1L3MBTL1MAPK1KMT2A
SCHEMBL17969964 0.83 ABCG2 (0.53) GABRG2GABRB3GABRA5GABRA3SQOR

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-9954181-B2 Hetero-cyclic compound and organic light emitting device comprising the same LG CHEM, LTD. (KR) 2018-04-24 US disclosed
US-20160233430-A1 HETERO-CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME (As Amended) LG CHEM, LTD. (KR) 2016-08-11 US disclosed
EP-3050879-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMTTING ELEMENT INCLUDING SAME LG Chem, Ltd. (KR) 2016-08-03 EP 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 (1 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-20160233430-A1 HETERO-CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME (As Amended) CRY1, CRY2, PER2 GABRG2 1194/4885GABRB3 2054/4885GABRA5 1780/4885

“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.