SCHEMBL17969989

SCHEMBL17969989

N#Cc1cccc(-c2cc(-c3ccccc3)nc(-c3cccc4c(-c5nc(-c6ccccc6)cc(-c6cccc(C#N)c6)n5)cccc34)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.51
GABRG2 P18507 1/20 0.51
GABRB3 P28472 1/20 0.51
GABRA5 P31644 1/20 0.51
GABRA3 P34903 1/20 0.51
CYP1A2 P05177 6/20 0.51
CYP3A4 P08684 5/20 0.51
MEN1 O00255 4/20 0.51
ALDH1A1 P00352 4/20 0.51
KMT2A Q03164 4/20 0.51
CLK4 Q9HAZ1 4/20 0.51
LMNA P02545 4/20 0.51
CYP2C19 P33261 3/20 0.51
HSD17B10 Q99714 3/20 0.51
CYP2D6 P10635 3/20 0.51
TSHR P16473 2/20 0.51
MAPK1 P28482 2/20 0.51
ADORA2A P29274 2/20 0.51
CYP2C9 P11712 2/20 0.51
TP53 P04637 2/20 0.50

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
SCHEMBL17969951 0.90 MEN1 (0.54) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL17969960 0.90 CYP1A2 (0.56) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL17969964 0.89 ABCG2 (0.53) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL18010691 0.88 CYP1A2 (0.55) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31663608 0.87 GABRA1 (0.56) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL21636485 0.87 CYP1A2 (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31663506 0.85 CLK4 (0.61) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL20933285 0.84 GABRA1 (0.57) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL26220097 0.84 CYP1A2 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL19939378 0.84 CYP1A2 (0.54) GABRA1GABRG2GABRB3GABRA5GABRA3

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 GABRA1 1673/4885GABRG2 1194/4885GABRB3 2054/4885

“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.