SCHEMBL19912528

SCHEMBL19912528

Cc1cc(-c2cc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c(C#N)c(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)cc(C(F)(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.34
AR P10275 3/20 0.32
POLB P06746 1/20 0.31
PDE9A O76083 1/20 0.31
PDE1C Q14123 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
CASP1 P29466 1/20 0.31
HSD17B10 Q99714 1/20 0.31
BCAT2 O15382 1/20 0.31
BCAT1 P54687 1/20 0.31
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL19912380 1.00 KIF11 (0.34) KIF11ARPOLBPDE9APDE1C
SCHEMBL19912522 0.94 KIF11 (0.36) KIF11ARPOLBPDE9APDE1C
SCHEMBL19912526 0.94 KIF11 (0.36) KIF11ARPOLBPDE9APDE1C
SCHEMBL19912373 0.93 KIF11 (0.38) KIF11ARPOLBPDE9APDE1C
SCHEMBL19912342 0.93 KIF11 (0.34) KIF11ARPOLBPDE9APDE1C
SCHEMBL19912555 0.93 AR (0.34) KIF11ARPOLBPDE9APDE1C
SCHEMBL19918000 0.92 KIF11 (0.35) KIF11ARPPARGPPARAKDM4E
SCHEMBL19903482 0.92 KIF11 (0.35) KIF11ARPPARGPPARAKDM4E
SCHEMBL19912546 0.92 AR (0.34) KIF11ARPOLBPDE9APDE1C
SCHEMBL19912389 0.91 KDM4E (0.36) KIF11ARPOLBPDE9APDE1C

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 4212/4885POLB 2101/4885

“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.