SCHEMBL22760909

SCHEMBL22760909

N#Cc1cccc(-c2cc(-n3c4ccccc4c4ccc(-c5ccccc5)cc43)c(C#N)cc2-n2c3ccccc3c3ccc(-c4ccccc4)cc32)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 1/20 0.40
ADORA2A P29274 1/20 0.39
PGR P06401 1/20 0.37
CYP1A2 P05177 5/20 0.37
CYP3A4 P08684 4/20 0.37
MEN1 O00255 3/20 0.37
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 3/20 0.37
LMNA P02545 3/20 0.37
TSHR P16473 3/20 0.37
CYP2D6 P10635 3/20 0.37
CYP2C19 P33261 2/20 0.37
CLK4 Q9HAZ1 2/20 0.37
HSD17B10 Q99714 2/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C9 P11712 1/20 0.37
PTPN5 P54829 1/20 0.36
TP53 P04637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL22760662 0.98 ALDH1A3 (0.39) ALDH1A3ADORA2APGRCYP1A2CYP3A4
SCHEMBL22760914 0.98 ALDH1A3 (0.41) ALDH1A3ADORA2APGRCYP1A2CYP3A4
SCHEMBL21546588 0.97 ALDH1A3 (0.37) ALDH1A3ADORA2APGRCYP1A2CYP3A4
SCHEMBL21546595 0.94 ALDH1A3 (0.37) ALDH1A3ADORA2APGRCYP1A2CYP3A4
SCHEMBL21546631 0.94 ALDH1A3 (0.38) ALDH1A3ADORA2APGRCLK4XDH
SCHEMBL22760911 0.93 ALDH1A3 (0.40) ALDH1A3ADORA2APGRCYP1A2CYP3A4
SCHEMBL21546600 0.93 PGR (0.36) ALDH1A3ADORA2APGRCLK4PTPN5
SCHEMBL22760626 0.92 TRPA1 (0.39) ALDH1A3ADORA2ACYP1A2CYP3A4MEN1
SCHEMBL21546906 0.92 ADORA2A (0.38) ALDH1A3ADORA2APGRCYP1A2CYP3A4
SCHEMBL22760893 0.91 ALDH1A3 (0.39) ALDH1A3ADORA2APGRCYP1A2CYP3A4

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-10981930-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2021-04-20 US disclosed
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-12-10 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-10981930-B2 Organic molecules for use in optoelectronic devices OR10J3, OR51E2, EPCAM ALDH1A3 39/4885ADORA2A 3953/4885PGR 3398/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM ALDH1A3 39/4885ADORA2A 3953/4885PGR 3398/4885

“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.