SCHEMBL22985259

SCHEMBL22985259

N#Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(C#N)ccc2-c2ccc(-c3ccc(C#N)cc3C(F)(F)F)cc2-n2c3ccccc3c3cc(-c4cccc(C#N)c4)ccc32)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.40
PTPN5 P54829 1/20 0.37
ENPP1 P22413 1/20 0.36
RORC P51449 1/20 0.36
AR P10275 6/20 0.36
KIF11 P52732 1/20 0.34
CHEK1 O14757 1/20 0.34
PRF1 P14222 1/20 0.34
ACP1 P24666 1/20 0.33
MAP4K4 O95819 1/20 0.33
PTGER4 P35408 1/20 0.33
ADRA2C P18825 1/20 0.32
PGR P06401 2/20 0.32
ALDH1A3 P47895 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
SCHEMBL22985382 0.96 PDK2 (0.39) PDK2PTPN5ENPP1RORCAR
SCHEMBL22985701 0.96 PDK2 (0.39) PDK2PTPN5ENPP1RORCAR
SCHEMBL22985257 0.96 PDK2 (0.40) PDK2PTPN5ENPP1RORCAR
SCHEMBL22985318 0.95 KIF11 (0.38) PDK2PTPN5ARKIF11ACP1
SCHEMBL20848735 0.94 PTPN5 (0.39) PDK2PTPN5ENPP1RORCAR
SCHEMBL22985258 0.94 AR (0.36) PDK2PTPN5ENPP1RORCAR
SCHEMBL22985688 0.94 KIF11 (0.41) PDK2PTPN5RORCARKIF11
SCHEMBL22985306 0.93 AR (0.39) PDK2ARKIF11ACP1PTGER4
SCHEMBL22985568 0.92 AR (0.43) PDK2PTPN5ENPP1RORCAR
SCHEMBL20849095 0.92 PDK2 (0.40) PDK2PTPN5ENPP1ARKIF11

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 4289/4885ENPP1 4339/4885

“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.