SCHEMBL20848971

SCHEMBL20848971

N#Cc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)ccc2-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c(-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33
CYP1A2 P05177 4/20 0.32
CYP3A4 P08684 3/20 0.32
MEN1 O00255 3/20 0.32
ALDH1A1 P00352 3/20 0.32
KMT2A Q03164 3/20 0.32
LMNA P02545 3/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
CLK4 Q9HAZ1 2/20 0.32
CYP2D6 P10635 2/20 0.32
TSHR P16473 2/20 0.32
HSD17B10 Q99714 2/20 0.32
PTGER4 P35408 1/20 0.32
SCN9A Q15858 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 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
SCHEMBL22243059 1.00 EDNRB (0.33) EDNRBEDNRACYP1A2CYP3A4MEN1
SCHEMBL20848977 0.97 EDNRB (0.34) EDNRBEDNRACYP1A2CYP3A4MEN1
SCHEMBL20848732 0.97 CYP1A2 (0.32) EDNRBEDNRACYP1A2CYP3A4MEN1
SCHEMBL22242947 0.97 CYP1A2 (0.32) EDNRBEDNRACYP1A2CYP3A4MEN1
SCHEMBL22242995 0.97 CYP1A2 (0.33) EDNRBEDNRACYP1A2CYP3A4MEN1
SCHEMBL20849547 0.97 CYP1A2 (0.33) EDNRBEDNRACYP1A2CYP3A4MEN1
SCHEMBL22243075 0.97 CYP1A2 (0.33) EDNRBEDNRACYP1A2CYP3A4MEN1
SCHEMBL20848749 0.97 CYP1A2 (0.33) EDNRBEDNRACYP1A2CYP3A4MEN1
SCHEMBL22985579 0.95 CYP1A2 (0.34) CYP1A2CYP3A4MEN1ALDH1A1KMT2A
SCHEMBL20155939 0.94 USP1 (0.33) EDNRBEDNRACYP1A2CYP3A4MEN1

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 2566/4885CYP1A2 1909/4885
US-20190097141-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OCIAD2, OCIAD1, POU2F1 EDNRB 1908/4885EDNRA 2566/4885CYP1A2 1909/4885

“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.