SCHEMBL22985191

SCHEMBL22985191

N#Cc1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C#N)c4)ccc2n3-c2ccc(C#N)c(-c3cc(-c4ccc(C(F)(F)F)cc4C#N)ccc3-n3c4ccc(-c5cccc(C#N)c5)cc4c4cc(-c5cccc(C#N)c5)ccc43)c2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
PTPN5 P54829 1/20 0.36
CETP P11597 1/20 0.35
PDK2 Q15119 1/20 0.34
MAT2A P31153 1/20 0.34
XDH P47989 1/20 0.34
SCN9A Q15858 1/20 0.34
GRIN1 Q05586 2/20 0.33
GRIN2B Q13224 2/20 0.33
HCRTR1 O43613 2/20 0.32
HCRTR2 O43614 2/20 0.32
TRPA1 O75762 1/20 0.32
ENPP1 P22413 1/20 0.32
AR P10275 2/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31

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
SCHEMBL22985210 0.97 PTPN5 (0.36) ALOX5APFEN1PTGDR2PTPN5CETP
SCHEMBL20849174 0.93 AR (0.35) PTGDR2PTPN5CETPPDK2MAT2A
SCHEMBL22985415 0.92 ALOX5AP (0.39) ALOX5APFEN1PTPN5XDHAR
SCHEMBL22985420 0.92 ALOX5AP (0.40) ALOX5APFEN1PTGDR2XDHAR
SCHEMBL22985525 0.91 ALOX5AP (0.40) ALOX5APFEN1PTGDR2PTPN5CETP
SCHEMBL22985262 0.90 AR (0.43) ALOX5APFEN1XDHENPP1AR
SCHEMBL22985135 0.90 PTPN5 (0.36) ALOX5APFEN1PTGDR2PTPN5CETP
SCHEMBL20848848 0.90 AR (0.35) PTGDR2PTPN5CETPPDK2MAT2A
SCHEMBL20849027 0.90 PTPN5 (0.35) PTGDR2PTPN5CETPPDK2MAT2A
SCHEMBL22985192 0.90 ALOX5AP (0.40) ALOX5APFEN1PTPN5XDHAR

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 2939/4885PTGDR2 3418/4885

“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.