SCHEMBL22985254

SCHEMBL22985254

N#Cc1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C#N)c4)ccc2n3-c2ccc(C#N)cc2-c2cc(-c3ccc(C#N)cc3C(F)(F)F)ccc2-n2c3ccc(-c4cccc(C#N)c4)cc3c3cc(-c4cccc(C#N)c4)ccc32)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.40
RORC P51449 1/20 0.38
PTPN5 P54829 1/20 0.37
KIF11 P52732 1/20 0.37
ENPP1 P22413 1/20 0.36
AR P10275 5/20 0.36
MAP4K4 O95819 1/20 0.35
CHEK1 O14757 1/20 0.34
PRF1 P14222 1/20 0.34
PGR P06401 1/20 0.34
SSTR2 P30874 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33
MAT2A P31153 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CLK4 Q9HAZ1 1/20 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
SCHEMBL22985252 0.96 PDK2 (0.40) PDK2RORCPTPN5KIF11ENPP1
SCHEMBL22984990 0.96 PDK2 (0.39) PDK2RORCPTPN5KIF11ENPP1
SCHEMBL22985380 0.96 PDK2 (0.39) PDK2RORCPTPN5KIF11ENPP1
SCHEMBL20848814 0.94 PTPN5 (0.39) PDK2RORCPTPN5KIF11ENPP1
SCHEMBL22984983 0.94 KIF11 (0.40) PDK2RORCPTPN5KIF11AR
SCHEMBL22985022 0.92 KIF11 (0.38) PDK2RORCKIF11ARMAP4K4
SCHEMBL22985015 0.92 KIF11 (0.45) PDK2KIF11ARMAP4K4PGR
SCHEMBL22985701 0.92 PDK2 (0.39) PDK2RORCPTPN5KIF11ENPP1
SCHEMBL22985382 0.92 PDK2 (0.39) PDK2RORCPTPN5KIF11ENPP1
SCHEMBL22985423 0.92 AR (0.46) PDK2RORCKIF11ENPP1AR

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 PDK2 764/4885RORC 188/4885PTPN5 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.