SCHEMBL20848977

SCHEMBL20848977

N#Cc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)ccc2-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c(-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.34
EDNRA P25101 1/20 0.34
S1PR1 P21453 3/20 0.33
CYP2C9 P11712 2/20 0.33
S1PR3 Q99500 2/20 0.33
SCN9A Q15858 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.32
MAT2A P31153 1/20 0.32
LMNA P02545 2/20 0.32
DGAT1 O75907 1/20 0.32
SOAT1 P35610 1/20 0.32
KCNH2 Q12809 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL20848971 0.97 EDNRB (0.33) EDNRBEDNRAS1PR1CYP2C9S1PR3
SCHEMBL22243059 0.97 EDNRB (0.33) EDNRBEDNRAS1PR1CYP2C9S1PR3
SCHEMBL20848730 0.96 S1PR1 (0.33) EDNRBEDNRAS1PR1CYP2C9S1PR3
SCHEMBL20848703 0.96 S1PR1 (0.34) EDNRBEDNRAS1PR1CYP2C9S1PR3
SCHEMBL22985577 0.95 S1PR1 (0.35) S1PR1CYP2C9S1PR3LMNAMEN1
SCHEMBL22242947 0.94 CYP1A2 (0.32) EDNRBEDNRAS1PR1CYP2C9S1PR3
SCHEMBL20848732 0.94 CYP1A2 (0.32) EDNRBEDNRAS1PR1CYP2C9S1PR3
SCHEMBL20849547 0.94 CYP1A2 (0.33) EDNRBEDNRAS1PR1CYP2C9S1PR3
SCHEMBL22243075 0.94 CYP1A2 (0.33) EDNRBEDNRAS1PR1CYP2C9S1PR3
SCHEMBL20848749 0.94 CYP1A2 (0.33) EDNRBEDNRAS1PR1CYP2C9S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10978646-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2021-04-13 US disclosed
US-20190097141-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2019-03-28 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 (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-10978646-B2 Organic molecules for use in optoelectronic devices OCIAD2, OCIAD1, POU2F1 EDNRB 1908/4885EDNRA 2566/4885S1PR1 4528/4885
US-20190097141-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OCIAD2, OCIAD1, POU2F1 EDNRB 1908/4885EDNRA 2566/4885S1PR1 4528/4885

“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.