SCHEMBL21293777

SCHEMBL21293777

N#Cc1cccc(-c2c(C#N)c(-c3cccc(C#N)c3)c(-n3c4ccccc4c4ccc5oc6ccccc6c5c43)c(-n3c4ccccc4c4ccc5oc6ccccc6c5c43)c2-n2c3ccccc3c3ccc4oc5ccccc5c4c32)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 2/20 0.36
▸ ADORA2A P29274 4/20 0.32
▸ ADORA1 P30542 3/20 0.32
▸ TNKS O95271 1/20 0.32
▸ CLK4 Q9HAZ1 4/20 0.32
▸ CSNK2A2 P19784 1/20 0.32
▸ CSNK2B P67870 1/20 0.32
▸ CSNK2A1 P68400 1/20 0.32
▸ CSNK2A3 Q8NEV1 1/20 0.32
▸ CYP1A2 P05177 6/20 0.32
▸ CYP3A4 P08684 5/20 0.32
▸ MEN1 O00255 4/20 0.32
▸ ALDH1A1 P00352 4/20 0.32
▸ KMT2A Q03164 4/20 0.32
▸ LMNA P02545 4/20 0.32
▸ CYP2D6 P10635 4/20 0.32
▸ TSHR P16473 3/20 0.32
▸ CYP2C19 P33261 3/20 0.32
▸ HSD17B10 Q99714 3/20 0.32
▸ MAPK1 P28482 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
SCHEMBL21293780 0.89 PGR (0.37) PGRADORA2AADORA1TNKSCLK4
SCHEMBL21546908 0.87 PGR (0.39) PGRADORA2AADORA1TNKSCLK4
SCHEMBL21546710 0.85 PGR (0.34) PGRADORA2AADORA1TNKSCLK4
SCHEMBL21928592 0.85 PGR (0.35) PGRADORA2ATNKSCLK4CSNK2A2
SCHEMBL21304041 0.84 TNKS (0.39) PGRADORA2ATNKSCYP1A2CYP3A4
SCHEMBL24701574 0.84 ADORA2A (0.40) ADORA2ACYP1A2CYP3A4MEN1ALDH1A1
SCHEMBL21414297 0.83 TNKS (0.34) TNKSCYP1A2CYP3A4MEN1ALDH1A1
SCHEMBL24701408 0.83 ADORA2A (0.38) ADORA2AALDH1A1LMNATSHRHSD17B10
SCHEMBL21304020 0.83 ADORA2A (0.35) PGRADORA2AADORA1TNKSCLK4
SCHEMBL24871408 0.82 TNKS (0.34) TNKSCYP1A2CYP3A4MEN1ALDH1A1

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-10644249-B2 Composition of matter for use in organic light-emitting diodes KYULUX, INC. (JP) 2020-05-05 — — US disclosed
US-20190267554-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES Kyulux North America, Inc. 2019-08-29 — — 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-10644249-B2 Composition of matter for use in organic light-emitting diodes NDUFV3, SLCO1B3, CRY2 PGR 1687/4885ADORA2A 2400/4885ADORA1 3976/4885
US-20190267554-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES NDUFV3, SLCO1B3, CRY2 PGR 1687/4885ADORA2A 2400/4885ADORA1 3976/4885

“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.

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