SCHEMBL21116533

SCHEMBL21116533

N#Cc1ccc2c(c1)c1ccccc1n2-c1cc(-c2ccc(C(F)(F)F)c(-n3c4ccccc4c4cc(C#N)ccc43)c2)ccc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.45
PTGER4 P35408 2/20 0.35
PDPK1 O15530 1/20 0.35
AR P10275 5/20 0.35
TRPV4 Q9HBA0 1/20 0.35
PTPN5 P54829 1/20 0.34
RORC P51449 3/20 0.33
ENPP3 O14638 1/20 0.33
PDK2 Q15119 1/20 0.33
SLC22A12 Q96S37 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
SCHEMBL21116551 0.94 KIF11 (0.50) KIF11PTGER4PDPK1ARPTPN5
SCHEMBL21116534 0.94 KIF11 (0.50) KIF11ARTRPV4SLC22A12
SCHEMBL21116259 0.93 KIF11 (0.45) KIF11PDPK1ARTRPV4PTPN5
SCHEMBL21116911 0.90 KIF11 (0.40) KIF11PTGER4PDPK1ARPTPN5
SCHEMBL21116566 0.89 AR (0.39) KIF11PTGER4ARRORCPDK2
SCHEMBL21116487 0.89 KIF11 (0.50) KIF11PTGER4PDPK1ARPTPN5
SCHEMBL24970331 0.88 KIF11 (0.42) KIF11PTGER4PDPK1ARTRPV4
SCHEMBL21116555 0.87 KIF11 (0.56) KIF11ARTRPV4PTPN5PDK2
SCHEMBL21116264 0.85 KIF11 (0.50) KIF11PDPK1ARTRPV4PTPN5
SCHEMBL21116553 0.85 KIF11 (0.40) KIF11PDPK1ARPTPN5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11136294-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2021-10-05 US disclosed
EP-3478656-B1 DICARBAZOLE DIPHENYL DERIVATIVES FOR USE IN OPTOPELECTRONIC DEVICES CYNORA GMBH (DE) 2021-09-08 EP disclosed
US-20190194130-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-06-27 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 (2 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-20190194130-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, NOX3, ORC3 KIF11 3544/4885PTGER4 1872/4885PDPK1 4687/4885
US-11136294-B2 Organic molecules for use in optoelectronic devices OR10J3, ORC3, NOX3 KIF11 3520/4885PTGER4 2284/4885PDPK1 4663/4885

“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.