SCHEMBL21116264

SCHEMBL21116264

N#Cc1ccc2c3ccc(C#N)cc3n(-c3cc(-c4ccc(C(F)(F)F)c(-n5c6cc(C#N)ccc6c6ccc(C#N)cc65)c4)ccc3C(F)(F)F)c2c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.50
TRPV4 Q9HBA0 1/20 0.38
AR P10275 8/20 0.36
PGR P06401 2/20 0.34
PDPK1 O15530 1/20 0.33
CYP11B2 P19099 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
TRPA1 O75762 1/20 0.32
SCN5A Q14524 1/20 0.32
SCN9A Q15858 1/20 0.32
PTPN5 P54829 1/20 0.32
NOTUM Q6P988 1/20 0.32
KDM1A O60341 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
SCHEMBL21116259 0.94 KIF11 (0.45) KIF11TRPV4ARPGRPDPK1
SCHEMBL21116475 0.93 KIF11 (0.56) KIF11TRPV4ARPGRPDPK1
SCHEMBL21116910 0.89 KIF11 (0.44) KIF11ARPGRHDAC1HDAC6
SCHEMBL21116534 0.89 KIF11 (0.50) KIF11TRPV4ARPGRCYP11B2
SCHEMBL21116564 0.88 KIF11 (0.42) KIF11TRPV4ARPGRKDM1A
SCHEMBL21116487 0.87 KIF11 (0.50) KIF11ARPDPK1HDAC1HDAC6
SCHEMBL21116533 0.85 KIF11 (0.45) KIF11TRPV4ARPDPK1PTPN5
SCHEMBL21116555 0.84 KIF11 (0.56) KIF11TRPV4ARPGRCYP11B2
SCHEMBL21116553 0.83 KIF11 (0.40) KIF11ARPGRPDPK1SCN9A
SCHEMBL23798840 0.82 AR (0.39) KIF11ARPGRKDM1A

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 3544/4885TRPV4 1331/4885AR 1096/4885
US-11136294-B2 Organic molecules for use in optoelectronic devices OR10J3, ORC3, NOX3 KIF11 3520/4885TRPV4 1631/4885AR 1080/4885

“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.