SCHEMBL21546858

SCHEMBL21546858

Cc1ccccc1-c1ccc2c3ccccc3n(-c3cc(C#N)c(-c4cccc(C#N)c4)cc3-n3c4ccccc4c4ccc(-c5ccccc5C)cc43)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.40
ADRA2C P18825 1/20 0.36
BRD4 O60885 1/20 0.35
CYP1A2 P05177 3/20 0.34
CYP3A4 P08684 3/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP2C19 P33261 2/20 0.34
KMT2A Q03164 2/20 0.34
CLK4 Q9HAZ1 2/20 0.34
CYP2D6 P10635 2/20 0.34
TSHR P16473 2/20 0.34
MAPK1 P28482 1/20 0.34
LMNA P02545 1/20 0.34
CYP2C9 P11712 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ADORA2A P29274 1/20 0.34
GABRA1 P14867 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34

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
SCHEMBL21546860 0.97 AR (0.42) ARADRA2CBRD4CYP1A2CYP3A4
SCHEMBL21546955 0.94 AR (0.40) ARADRA2CBRD4CYP1A2CYP3A4
SCHEMBL21546859 0.94 AR (0.40) ARADRA2CBRD4CYP1A2CYP3A4
SCHEMBL21546957 0.92 AR (0.41) ARADRA2CBRD4CYP1A2CYP3A4
SCHEMBL22760961 0.91 ALDH1A3 (0.39) ADRA2CCYP1A2CYP3A4MEN1ALDH1A1
SCHEMBL21546663 0.91 ELANE (0.35) ADRA2CBRD4CYP1A2CYP3A4MEN1
SCHEMBL22760958 0.90 TRPA1 (0.39) ADRA2CCYP1A2CYP3A4MEN1KMT2A
SCHEMBL21546672 0.90 AR (0.42) ARADRA2CBRD4CYP1A2CYP3A4
SCHEMBL21546675 0.90 ELANE (0.38) ARCYP1A2CYP3A4MEN1ALDH1A1
SCHEMBL21546677 0.90 ALDH1A3 (0.37) ARBRD4CYP1A2CYP3A4MEN1

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 AR 4523/4885ADRA2C 3840/4885BRD4 2909/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM AR 4523/4885ADRA2C 3840/4885BRD4 2909/4885

“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.