SCHEMBL19909400

SCHEMBL19909400

N#Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)c3)cc(-n3c4ccccc4c4cc(-c5cccc(C#N)c5)ccc43)c2C#N)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 1/20 0.45
GABRG2 P18507 2/20 0.44
GABRB3 P28472 2/20 0.44
GABRA5 P31644 2/20 0.44
GABRA3 P34903 2/20 0.44
GABRA1 P14867 1/20 0.44
ADORA2A P29274 4/20 0.40
ADORA1 P30542 4/20 0.40
MYC P01106 1/20 0.40
ADORA2B P29275 3/20 0.38
CYP1A2 P05177 6/20 0.37
CYP3A4 P08684 5/20 0.37
ALDH1A1 P00352 4/20 0.37
LMNA P02545 4/20 0.37
TSHR P16473 4/20 0.37
CYP2D6 P10635 4/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
CLK4 Q9HAZ1 3/20 0.37
HSD17B10 Q99714 3/20 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
SCHEMBL19909399 0.97 ALDH1A3 (0.47) ALDH1A3GABRG2GABRB3GABRA5GABRA3
SCHEMBL19909208 0.95 MYC (0.41) ALDH1A3GABRG2GABRB3GABRA5GABRA3
SCHEMBL22563554 0.93 ALDH1A3 (0.44) ALDH1A3GABRG2GABRB3GABRA5GABRA3
SCHEMBL19909205 0.93 MYC (0.48) ALDH1A3GABRG2GABRB3GABRA5GABRA3
SCHEMBL19909314 0.92 MYC (0.41) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL21278867 0.92 ALDH1A3 (0.43) ALDH1A3GABRG2GABRB3GABRA5GABRA3
SCHEMBL21546805 0.91 ALDH1A3 (0.46) ALDH1A3GABRG2GABRB3GABRA5GABRA3
SCHEMBL19909019 0.91 MYC (0.43) ALDH1A3GABRG2GABRB3GABRA5GABRA3
SCHEMBL19909211 0.91 MYC (0.43) ALDH1A3GABRG2GABRB3GABRA5GABRA3
SCHEMBL21546928 0.91 ADORA2A (0.40) ALDH1A3GABRG2GABRB3GABRA5GABRA3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11588114-B2 Organic molecules for use in optoelectronic devices SAMSUNG DISPLAY CO., LTD. (KR) 2023-02-21 US disclosed
US-20200212316-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2020-07-02 US disclosed
US-10665792-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2020-05-26 US disclosed
US-20180062085-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2018-03-01 US disclosed
EP-3287451-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-02-28 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 (3 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-20200212316-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OPRM1, OR51E2 ALDH1A3 38/4885GABRG2 1265/4885GABRB3 497/4885
US-10665792-B2 Organic molecules for use in optoelectronic devices OR10J3, CFD, AOX1 ALDH1A3 192/4885GABRG2 3357/4885GABRB3 2623/4885
US-11588114-B2 Organic molecules for use in optoelectronic devices OR10J3, OPRM1, OR51E2 ALDH1A3 38/4885GABRG2 1265/4885GABRB3 497/4885

“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.