SCHEMBL22985328

SCHEMBL22985328

N#Cc1ccc(-c2ccc(-c3ccc(C(F)(F)F)cc3C#N)cc2-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c(-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
XDH P47989 2/20 0.36
CYP1A2 P05177 5/20 0.33
CYP3A4 P08684 4/20 0.33
MEN1 O00255 3/20 0.33
ALDH1A1 P00352 3/20 0.33
KMT2A Q03164 3/20 0.33
LMNA P02545 3/20 0.33
CYP2D6 P10635 3/20 0.33
TSHR P16473 3/20 0.33
CYP2C19 P33261 2/20 0.33
CLK4 Q9HAZ1 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CYP2C9 P11712 1/20 0.33
PTGER4 P35408 1/20 0.33
MAT2A P31153 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
DGAT1 O75907 1/20 0.32
SOAT1 P35610 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
SCHEMBL22985337 0.97 ALOX5AP (0.39) ALOX5APFEN1XDHCYP1A2CYP3A4
SCHEMBL22985197 0.97 ALOX5AP (0.37) ALOX5APFEN1XDHCYP1A2CYP3A4
SCHEMBL22985036 0.97 ALOX5AP (0.37) ALOX5APFEN1XDHCYP1A2CYP3A4
SCHEMBL20910836 0.97 XDH (0.36) ALOX5APFEN1XDHCYP1A2CYP3A4
SCHEMBL22985040 0.94 ALOX5AP (0.38) ALOX5APFEN1XDHCYP1A2CYP3A4
SCHEMBL22985199 0.94 ALOX5AP (0.38) ALOX5APFEN1XDHCYP1A2CYP3A4
SCHEMBL20910985 0.94 XDH (0.38) ALOX5APFEN1XDHCYP1A2CYP3A4
SCHEMBL20910530 0.93 XDH (0.35) ALOX5APFEN1XDHCYP1A2CYP3A4
SCHEMBL22985117 0.93 ALOX5AP (0.38) ALOX5APFEN1XDHCYP1A2CYP3A4
SCHEMBL22243174 0.93 CYP1A2 (0.36) CYP1A2CYP3A4MEN1ALDH1A1KMT2A

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 2939/4885XDH 1167/4885

“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.