SCHEMBL22985644

SCHEMBL22985644

N#Cc1ccc(-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c(-c2cc(-n3c4ccccc4c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)ccc2-c2ccc(C(F)(F)F)cc2C#N)c1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
PDPK1 O15530 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
XDH P47989 1/20 0.31
PTGER4 P35408 1/20 0.31
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30

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
SCHEMBL22985154 0.98 ALOX5AP (0.33) ALOX5APFEN1PDPK1MEN1ALDH1A1
SCHEMBL22985063 0.93 KIF11 (0.33) ALOX5APFEN1PDPK1
SCHEMBL22985213 0.92 PTGER4 (0.34) ALOX5APFEN1PDPK1XDHPTGER4
SCHEMBL20849228 0.92 PDPK1 (0.32) PDPK1MEN1ALDH1A1LMNACYP1A2
SCHEMBL24370174 0.92 ALOX5AP (0.35) ALOX5APFEN1MEN1ALDH1A1LMNA
SCHEMBL22985036 0.91 ALOX5AP (0.37) ALOX5APFEN1MEN1ALDH1A1LMNA
SCHEMBL22985117 0.91 ALOX5AP (0.38) ALOX5APFEN1MEN1ALDH1A1LMNA
SCHEMBL24370186 0.91 ALOX5AP (0.32) ALOX5APFEN1PDPK1XDHPTGER4
SCHEMBL22985699 0.90 ALOX5AP (0.32) ALOX5APFEN1PDPK1
SCHEMBL22985170 0.90 PTPN5 (0.36) ALOX5APFEN1PDPK1

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 2939/4885PDPK1 2545/4885

“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.