SCHEMBL22985641

SCHEMBL22985641

N#Cc1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C#N)c4)ccc2n3-c2ccc(-c3ccc(C#N)cc3C(F)(F)F)c(-c3cc(C#N)ccc3-n3c4ccc(-c5cccc(C#N)c5)cc4c4cc(-c5cccc(C#N)c5)ccc43)c2)c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.37
PTPN5 P54829 1/20 0.34
KIF11 P52732 1/20 0.34
AR P10275 6/20 0.33
MCHR1 Q99705 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
MAP4K4 O95819 1/20 0.32
RORC P51449 1/20 0.32
ENPP1 P22413 1/20 0.32
PRF1 P14222 1/20 0.32
CHEK1 O14757 1/20 0.32
SSTR2 P30874 1/20 0.32
PGR P06401 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
SCHEMBL22985122 0.96 PDK2 (0.37) PDK2PTPN5KIF11ARMCHR1
SCHEMBL20848950 0.94 PTPN5 (0.36) PDK2PTPN5KIF11MCHR1HRH3
SCHEMBL22985162 0.94 KIF11 (0.36) PDK2PTPN5KIF11ARPGR
SCHEMBL22985217 0.93 KIF11 (0.34) KIF11ARPGR
SCHEMBL22985027 0.93 KIF11 (0.41) PDK2KIF11ARPGR
SCHEMBL22985056 0.93 AR (0.43) PDK2KIF11ARPGR
SCHEMBL22985160 0.92 KIF11 (0.34) PDK2PTPN5KIF11AR
SCHEMBL20848780 0.91 PTPN5 (0.36) PDK2PTPN5KIF11ENPP1PRF1
SCHEMBL22985476 0.91 PGR (0.32) PDK2KIF11ARPGR
SCHEMBL22985029 0.90 KIF11 (0.37) PDK2KIF11ARPGR

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 764/4885PTPN5 4289/4885KIF11 525/4885

“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.