SCHEMBL19912422

SCHEMBL19912422

Cc1cc(-c2cc(-n3c4ccccc4c4cc(C(F)(F)F)ccc43)c(C#N)cc2-n2c3ccccc3c3cc(C)ccc32)cc(C(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.36
AR P10275 5/20 0.33
HRH1 P35367 2/20 0.32
HTR6 P50406 2/20 0.32
RORC P51449 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
MAT2A P31153 1/20 0.31
KDM4E B2RXH2 1/20 0.31
XDH P47989 1/20 0.30
NR3C1 P04150 1/20 0.30
PGR P06401 1/20 0.30
NR3C2 P08235 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30

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
SCHEMBL19912413 0.97 AR (0.35) KIF11ARHRH1HTR6RORC
SCHEMBL19917907 0.97 KIF11 (0.38) KIF11ARHRH1HTR6RORC
SCHEMBL19912425 0.96 KIF11 (0.36) KIF11ARHRH1HTR6RORC
SCHEMBL19912412 0.93 KIF11 (0.34) KIF11ARRORCTSHRSMN1; SMN2
SCHEMBL19903530 0.93 AR (0.34) KIF11ARHRH1HTR6RORC
SCHEMBL19912387 0.93 AR (0.35) KIF11ARHRH1HTR6TSHR
SCHEMBL19912383 0.92 KIF11 (0.36) KIF11ARTSHRSMN1; SMN2XDH
SCHEMBL19912408 0.91 KIF11 (0.35) KIF11ARMAT2AKDM4ENR3C1
SCHEMBL19912356 0.91 AR (0.35) KIF11ARHRH1HTR6RORC
SCHEMBL19912445 0.90 AR (0.37) KIF11ARRORCXDHNR3C1

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-20180062086-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2018-03-01 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-20180062086-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 KIF11 3316/4885AR 4212/4885HRH1 2783/4885

“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.