SCHEMBL22985221

SCHEMBL22985221

N#Cc1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3C#N)ccc1n2-c1ccc(-c2ccc(C(F)(F)F)cc2C#N)cc1-c1c(C#N)cccc1-n1c2ccc(-c3ccccc3C#N)cc2c2cc(-c3ccccc3C#N)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.40
FEN1 P39748 2/20 0.40
PTPN5 P54829 1/20 0.38
GABRA1 P14867 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35
AR P10275 5/20 0.35
NR3C1 P04150 1/20 0.35
XDH P47989 1/20 0.34
MC2R Q01718 1/20 0.34
CYP1A2 P05177 4/20 0.33
CYP3A4 P08684 4/20 0.33
ALDH1A1 P00352 4/20 0.33
HPGD P15428 3/20 0.33
HSD17B10 Q99714 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
PGR P06401 2/20 0.33

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
SCHEMBL22985545 0.97 ALOX5AP (0.38) ALOX5APFEN1PTPN5GABRA1GABRG2
SCHEMBL22985629 0.95 ALOX5AP (0.41) ALOX5APFEN1PTPN5GABRA1GABRG2
SCHEMBL21399293 0.95 PTPN5 (0.40) ALOX5APFEN1PTPN5GABRA1GABRG2
SCHEMBL22985392 0.94 ALOX5AP (0.39) ALOX5APFEN1PTPN5GABRA1GABRG2
SCHEMBL22985625 0.94 AR (0.43) ALOX5APFEN1PTPN5GABRA1GABRG2
SCHEMBL20849519 0.93 AR (0.40) ALOX5APFEN1PTPN5GABRA1GABRG2
SCHEMBL22985390 0.93 ALOX5AP (0.39) ALOX5APFEN1PTPN5GABRA1GABRG2
SCHEMBL22985712 0.92 ALOX5AP (0.39) ALOX5APFEN1PTPN5GABRA1GABRG2
SCHEMBL22985550 0.92 ALOX5AP (0.39) ALOX5APFEN1PTPN5ARXDH
SCHEMBL22985547 0.92 ALOX5AP (0.39) ALOX5APFEN1PTPN5ARXDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10919880-B2 Organic molecules, in particular for use in optoelectronic devices CYNORA GMBH (DE) 2021-02-16 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 (1 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-10919880-B2 Organic molecules, in particular for use in optoelectronic devices OCIAD1, OCIAD2, POU2F1 ALOX5AP 2567/4885FEN1 2939/4885PTPN5 4289/4885

“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.