SCHEMBL22985032

SCHEMBL22985032

N#Cc1ccc(-c2ccc(-n3c4ccc(-c5ccccc5C#N)cc4c4cc(-c5ccccc5C#N)ccc43)c(-c3cc(-n4c5ccc(-c6ccccc6C#N)cc5c5cc(-c6ccccc6C#N)ccc54)ccc3C#N)c2)c(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 13/20 0.42
PGR P06401 2/20 0.38
NR3C1 P04150 1/20 0.37
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
GABRA1 P14867 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA5 P31644 1/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 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
SCHEMBL22985391 0.97 AR (0.40) ARPGRNR3C1PDE3BPDE3A
SCHEMBL22985673 0.94 AR (0.39) ARPGR
SCHEMBL22985537 0.93 AR (0.39) ARPGRGABRA1GABRG2GABRB3
SCHEMBL22985541 0.93 AR (0.49) ARPGR
SCHEMBL22985671 0.93 AR (0.40) ARPGR
SCHEMBL22985675 0.93 AR (0.40) ARPGR
SCHEMBL22985123 0.93 AR (0.38) ARPGRNR3C1PDE3BPDE3A
SCHEMBL22985540 0.93 AR (0.40) ARPGR
SCHEMBL22985250 0.92 AR (0.44) ARPGRNR3C1PDE3BPDE3A
SCHEMBL22985033 0.92 AR (0.37) ARPGR

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 AR 3541/4885PGR 3779/4885NR3C1 4745/4885

“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.