Sugi Predict

Sugi Predict / Compounds / SCHEMBL19909501

SCHEMBL19909501

SCHEMBL19909501

Cc1cc(-c2c(-n3c4ccc(-c5cccc(C#N)c5)cc4c4cc(-c5cccc(C#N)c5)ccc43)cc(C#N)cc2-n2c3ccc(-c4cccc(C#N)c4)cc3c3cc(-c4cccc(C#N)c4)ccc32)cc(C)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 4/20 0.40
▸ CYP3A4 P08684 4/20 0.40
▸ CLK4 Q9HAZ1 4/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MAP4K4 O95819 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ ALDH1A3 P47895 1/20 0.38
▸ PGR P06401 1/20 0.38
▸ F11 P03951 1/20 0.37
▸ PSEN1 P49768 1/20 0.37
▸ PSEN2 P49810 1/20 0.37
▸ APH1B Q8WW43 1/20 0.37
▸ NCSTN Q92542 1/20 0.37
▸ APH1A Q96BI3 1/20 0.37
▸ PSENEN Q9NZ42 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ ABCG2 Q9UNQ0 1/20 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
SCHEMBL19919732 0.91 ALDH1A3 (0.38) CYP1A2CYP3A4CLK4ALDH1A1MAP4K4
SCHEMBL22563556 0.90 ABCG2 (0.43) CYP1A2CYP3A4CLK4ALDH1A1MAP4K4
SCHEMBL19909173 0.89 MAPKAPK2 (0.37) ALDH1A1PGR
SCHEMBL21546946 0.89 CYP1A2 (0.39) CYP1A2CYP3A4CLK4ALDH1A1MAP4K4
SCHEMBL19909495 0.89 ALDH1A3 (0.38) CYP1A2CYP3A4CLK4ALDH1A1MAP4K4
SCHEMBL21414132 0.89 MAP4K4 (0.42) CYP1A2CYP3A4CLK4ALDH1A1MAP4K4
SCHEMBL21546476 0.89 MAP4K4 (0.44) CYP1A2CYP3A4CLK4ALDH1A1MAP4K4
SCHEMBL21279107 0.87 CYP1A2 (0.39) CYP1A2CYP3A4CLK4ALDH1A1MAP4K4
SCHEMBL22760724 0.86 MAP4K4 (0.42) CYP1A2CYP3A4CLK4ALDH1A1MAP4K4
SCHEMBL19913282 0.86 PTGER4 (0.39) ALDH1A1HSD17B10

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 CYP1A2 344/4885CYP3A4 339/4885CLK4 4866/4885
US-10665792-B2 Organic molecules for use in optoelectronic devices OR10J3, CFD, AOX1 CYP1A2 2290/4885CYP3A4 1955/4885CLK4 3139/4885
US-11588114-B2 Organic molecules for use in optoelectronic devices OR10J3, OPRM1, OR51E2 CYP1A2 344/4885CYP3A4 339/4885CLK4 4866/4885

“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.