SCHEMBL21116475

SCHEMBL21116475

N#Cc1ccc(-c2ccc3c4ccc(-c5ccc(C#N)cc5)cc4n(-c4cc(-c5ccc(C(F)(F)F)c(-n6c7cc(-c8ccc(C#N)cc8)ccc7c7ccc(-c8ccc(C#N)cc8)cc76)c5)ccc4C(F)(F)F)c3c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.56
AR P10275 3/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CHEK1 O14757 1/20 0.37
PGR P06401 2/20 0.36
PDK2 Q15119 1/20 0.36
PTPN5 P54829 1/20 0.35
CYP11B2 P19099 1/20 0.35
PDPK1 O15530 1/20 0.35
TRPV4 Q9HBA0 1/20 0.35
DGAT1 O75907 1/20 0.34
SOAT1 P35610 1/20 0.34
KCNH2 Q12809 1/20 0.34
MMP3 P08254 1/20 0.34
TRPA1 O75762 1/20 0.34
SCN5A Q14524 1/20 0.34
SCN9A Q15858 1/20 0.34
SYK P43405 1/20 0.34
RXRA P19793 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
SCHEMBL21116487 0.94 KIF11 (0.50) KIF11ARHDAC1HDAC6CHEK1
SCHEMBL21116264 0.93 KIF11 (0.50) KIF11ARHDAC1HDAC6PGR
SCHEMBL21116910 0.90 KIF11 (0.44) KIF11ARHDAC1HDAC6PGR
SCHEMBL21116555 0.89 KIF11 (0.56) KIF11ARHDAC1HDAC6PGR
SCHEMBL21116259 0.87 KIF11 (0.45) KIF11ARPGRPDK2PTPN5
SCHEMBL21116564 0.86 KIF11 (0.42) KIF11ARPGRTRPV4
SCHEMBL21116551 0.86 KIF11 (0.50) KIF11ARPGRPDK2PTPN5
SCHEMBL21132067 0.85 KIF11 (0.52) KIF11ARHDAC1HDAC6CHEK1
SCHEMBL21116534 0.84 KIF11 (0.50) KIF11ARHDAC1HDAC6PGR
SCHEMBL25659381 0.83 KIF11 (0.44) KIF11ARHDAC1HDAC6CHEK1

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 3544/4885AR 1096/4885HDAC1 1142/4885
US-11136294-B2 Organic molecules for use in optoelectronic devices OR10J3, ORC3, NOX3 KIF11 3520/4885AR 1080/4885HDAC1 1014/4885

“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.