SCHEMBL21546660

SCHEMBL21546660

N#Cc1cccc(-c2cc(-n3c4cc(-c5cccc(-c6ccccc6)n5)ccc4c4ccc(-c5cccc(-c6ccccc6)n5)cc43)c(C#N)cc2-n2c3cc(-c4cccc(-c5ccccc5)n4)ccc3c3ccc(-c4cccc(-c5ccccc5)n4)cc32)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 1/20 0.42
ADORA2A P29274 2/20 0.39
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
IDO1 P14902 1/20 0.38
MTOR P42345 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 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

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
SCHEMBL21546612 0.98 ALDH1A3 (0.41) ALDH1A3ADORA2AGABRA1GABRG2GABRB3
SCHEMBL21546506 0.93 ALDH1A3 (0.43) ALDH1A3ADORA2AGABRA1GABRG2GABRB3
SCHEMBL22760717 0.92 ALDH1A3 (0.41) ALDH1A3ADORA2AGABRA1GABRG2GABRB3
SCHEMBL21546503 0.92 ALDH1A3 (0.41) ALDH1A3ADORA2AGABRA1GABRG2GABRB3
SCHEMBL21546661 0.92 ALDH1A3 (0.42) ALDH1A3ADORA2AGABRA1GABRG2GABRB3
SCHEMBL22760914 0.90 ALDH1A3 (0.41) ALDH1A3ADORA2AGABRA1GABRG2GABRB3
SCHEMBL21546631 0.89 ALDH1A3 (0.38) ALDH1A3ADORA2AIDO1CLK4
SCHEMBL22562241 0.88 ALDH1A3 (0.39) ALDH1A3ADORA2AGABRA1GABRG2GABRB3
SCHEMBL22761048 0.88 CYP1A2 (0.47) ALDH1A3ADORA2ACYP1A2CYP3A4MEN1
SCHEMBL22760909 0.88 ALDH1A3 (0.40) ALDH1A3ADORA2AGABRA1GABRG2GABRB3

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-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
EP-3478793-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-11-06 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 (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 3953/4885GABRA1 2654/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM ALDH1A3 39/4885ADORA2A 3953/4885GABRA1 2654/4885

“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.