SCHEMBL22985305

SCHEMBL22985305

N#Cc1ccc(-c2ccc(-c3ccc(C#N)cc3C(F)(F)F)cc2-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.40
AR P10275 8/20 0.38
PDK2 Q15119 2/20 0.37
PTPN5 P54829 1/20 0.35
PGR P06401 1/20 0.34
TRPV4 Q9HBA0 1/20 0.33
RORC P51449 1/20 0.33
NSD2 O96028 1/20 0.32
ACLY P53396 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
TRPA1 O75762 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
SCHEMBL22985318 0.97 KIF11 (0.38) KIF11ARPDK2PTPN5PGR
SCHEMBL22985594 0.96 KIF11 (0.38) KIF11ARPDK2PTPN5PGR
SCHEMBL22985057 0.96 KIF11 (0.38) KIF11ARPDK2PTPN5PGR
SCHEMBL22985686 0.94 KIF11 (0.45) KIF11ARPDK2PGRTRPV4
SCHEMBL20848705 0.94 KIF11 (0.39) KIF11ARPDK2PTPN5PGR
SCHEMBL22985688 0.94 KIF11 (0.41) KIF11ARPDK2PTPN5PGR
SCHEMBL22985257 0.94 PDK2 (0.40) KIF11ARPDK2PTPN5PGR
SCHEMBL22985582 0.93 KIF11 (0.36) KIF11ARPDK2PTPN5PGR
SCHEMBL22985553 0.93 KIF11 (0.36) KIF11ARPDK2PTPN5PGR
SCHEMBL22985259 0.92 PDK2 (0.40) KIF11ARPDK2PTPN5PGR

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 KIF11 525/4885AR 3541/4885PDK2 764/4885

“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.