SCHEMBL19913261

SCHEMBL19913261

Cc1cc(-c2cc(-n3c4cc(-c5cccc(C#N)c5)ccc4c4ccc(-c5cccc(C#N)c5)cc43)c(C#N)cc2-n2c3cc(-c4cccc(C#N)c4)ccc3c3ccc(-c4cccc(C#N)c4)cc32)cc(C)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.39
MTOR P42345 1/20 0.36
ALDH1A3 P47895 1/20 0.36
ALDH1A1 P00352 3/20 0.35
CYP1A2 P05177 3/20 0.35
CYP3A4 P08684 3/20 0.35
CLK4 Q9HAZ1 3/20 0.35
MEN1 O00255 2/20 0.35
CYP2C19 P33261 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPK1 P28482 1/20 0.35
LMNA P02545 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
F11 P03951 1/20 0.35
PIN1 Q13526 1/20 0.35
PGR P06401 1/20 0.35
AR P10275 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
SCHEMBL19919714 0.97 ADORA2A (0.37) ADORA2AMTORALDH1A3ALDH1A1CYP1A2
SCHEMBL19919813 0.92 ADORA2A (0.39) ADORA2AMTORALDH1A3ALDH1A1CYP1A2
SCHEMBL19908968 0.91 IRAK4 (0.34) IRAK4
SCHEMBL19919750 0.91 ADORA2A (0.37) ADORA2AALDH1A3ALDH1A1CYP1A2CYP3A4
SCHEMBL19913239 0.90 AR (0.40) ADORA2AALDH1A1CYP1A2MEN1CYP2C19
SCHEMBL19909514 0.90 CYP1A2 (0.40) ALDH1A1CYP1A2CYP2C19MAPK1LMNA
SCHEMBL19909097 0.90 CHEK1 (0.39) MTORMEN1KMT2APGRIRAK4
SCHEMBL21546631 0.90 ALDH1A3 (0.38) ADORA2AALDH1A3CLK4PGRIRAK4
SCHEMBL19909094 0.89 IRAK4 (0.32) CYP1A2CYP2C19CYP2C9PGRIRAK4
SCHEMBL19919629 0.89 CYP11B2 (0.35) ADORA2AALDH1A1CYP1A2CYP2C19MAPK1

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
US-20180062085-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2018-03-01 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 (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 ADORA2A 3726/4885MTOR 4179/4885ALDH1A3 38/4885
US-10665792-B2 Organic molecules for use in optoelectronic devices OR10J3, CFD, AOX1 ADORA2A 4758/4885MTOR 3218/4885ALDH1A3 192/4885
US-11588114-B2 Organic molecules for use in optoelectronic devices OR10J3, OPRM1, OR51E2 ADORA2A 3726/4885MTOR 4179/4885ALDH1A3 38/4885

“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.