SCHEMBL21928592

SCHEMBL21928592

N#Cc1cccc(-c2c(-n3c4ccccc4c4ccc5oc6ccccc6c5c43)cncc2-n2c3ccccc3c3ccc4oc5ccccc5c4c32)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 1/20 0.35
▸ CLK4 Q9HAZ1 4/20 0.34
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNA5 P30532 1/20 0.34
▸ CHRNA4 P43681 1/20 0.34
▸ CYP1A2 P05177 7/20 0.33
▸ CYP3A4 P08684 6/20 0.33
▸ MEN1 O00255 4/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ TSHR P16473 4/20 0.33
▸ LMNA P02545 3/20 0.33
▸ CYP2D6 P10635 3/20 0.33
▸ CYP2C9 P11712 3/20 0.33
▸ HSD17B10 Q99714 3/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ IDO1 P14902 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ CSNK2A2 P19784 1/20 0.33
▸ CSNK2B P67870 1/20 0.33

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
SCHEMBL21931774 0.89 TNKS (0.38) PGRALDH1A1KMT2ATSHRKDM4E
SCHEMBL21929245 0.88 CLK4 (0.34) PGRCLK4CHRNB2CHRNA5CHRNA4
SCHEMBL22760771 0.85 MAT2A (0.35) PGRCLK4CYP1A2CYP3A4MEN1
SCHEMBL21293777 0.85 PGR (0.36) PGRCLK4CYP1A2CYP3A4MEN1
SCHEMBL21546908 0.84 PGR (0.39) PGRCLK4CYP1A2CYP3A4MEN1
SCHEMBL21931855 0.83 GABRA1 (0.34) PGRCLK4CHRNB2CHRNA5CHRNA4
SCHEMBL21414108 0.83 TNKS (0.35) PGRMEN1ALDH1A1KMT2AKDM4E
SCHEMBL21928428 0.83 CYP11B2 (0.38) CLK4CYP1A2CYP3A4MEN1ALDH1A1
SCHEMBL21929246 0.83 GABRA1 (0.37) CLK4CHRNB2CHRNA5CHRNA4CYP1A2
SCHEMBL23097989 0.83 LRRK2 (0.36) PGRCLK4FLT1FLT4KDR

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-20220388960-A1 ORGANIC MOLECULES FOR USE IN LIGHT-EMITTING DEVICES CYNORA GMBH (DE) 2022-12-08 — — US disclosed
US-20200136054-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-04-30 — — 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-20200136054-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, OGFR, OR51E2 PGR 969/4885CLK4 3700/4885CHRNB2 763/4885
US-20220388960-A1 ORGANIC MOLECULES FOR USE IN LIGHT-EMITTING DEVICES ALDH1A2, AOX1, CYBA PGR 1361/4885CLK4 4420/4885CHRNB2 1261/4885

“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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