SCHEMBL19909495

SCHEMBL19909495

Cc1cc(-c2c(-n3c4ccccc4c4ccc(-c5cccc(C#N)c5)cc43)cc(C#N)cc2-n2c3ccccc3c3ccc(-c4cccc(C#N)c4)cc32)cc(C)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 1/20 0.38
CYP1A2 P05177 6/20 0.37
CYP3A4 P08684 5/20 0.37
ALDH1A1 P00352 4/20 0.37
CLK4 Q9HAZ1 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
TSHR P16473 3/20 0.37
CYP2D6 P10635 3/20 0.37
LMNA P02545 3/20 0.37
CYP2C19 P33261 2/20 0.37
HSD17B10 Q99714 2/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C9 P11712 1/20 0.37
ADORA2A P29274 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.36
PGR P06401 1/20 0.35
F11 P03951 1/20 0.35
PIN1 Q13526 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35

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 0.96 ALDH1A3 (0.38) ALDH1A3CYP1A2CYP3A4ALDH1A1CLK4
SCHEMBL19909110 0.94 IRAK4 (0.33) MEN1KMT2APGRIRAK4
SCHEMBL19909387 0.94 MEN1 (0.35) ALDH1A1MEN1KMT2AHSD17B10MAPK1
SCHEMBL19913277 0.93 KDM4A (0.35) ALDH1A3KMT2AADORA2AABCG2IRAK4
SCHEMBL22563368 0.91 ABCG2 (0.43) ALDH1A3CYP1A2CYP3A4ALDH1A1CLK4
SCHEMBL19913273 0.90 ABCG2 (0.36) ALDH1A3ALDH1A1MEN1KMT2AHSD17B10
SCHEMBL19909545 0.90 PTGER4 (0.36) ALDH1A1CLK4MEN1KMT2AABCG2
SCHEMBL21414161 0.90 ALDH1A3 (0.38) ALDH1A3CYP1A2CYP3A4ALDH1A1CLK4
SCHEMBL19913286 0.89 IRAK4 (0.34) ALDH1A1MEN1KMT2ALMNAIRAK4
SCHEMBL21546477 0.89 MCHR1 (0.37) ALDH1A3CYP1A2CYP3A4ALDH1A1CLK4

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 38/4885CYP1A2 344/4885CYP3A4 339/4885
US-10665792-B2 Organic molecules for use in optoelectronic devices OR10J3, CFD, AOX1 ALDH1A3 192/4885CYP1A2 2290/4885CYP3A4 1955/4885
US-11588114-B2 Organic molecules for use in optoelectronic devices OR10J3, OPRM1, OR51E2 ALDH1A3 38/4885CYP1A2 344/4885CYP3A4 339/4885

“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.