SCHEMBL19912539

SCHEMBL19912539

Cc1cc(-c2cc(-n3c4ccccc4c4ccc(-c5ccccc5C)cc43)c(C#N)c(-n3c4ccccc4c4ccc(-c5ccccc5C)cc43)c2)cc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.42
KIF11 P52732 1/20 0.33
BCAT2 O15382 1/20 0.32
BCAT1 P54687 1/20 0.32
GPBAR1 Q8TDU6 2/20 0.31
PDE9A O76083 1/20 0.31
PDE1C Q14123 1/20 0.31
METAP2 P50579 2/20 0.31
PDK2 Q15119 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL19912535 0.97 AR (0.44) ARKIF11BCAT2BCAT1GPBAR1
SCHEMBL19903570 0.95 AR (0.44) ARKIF11BCAT2BCAT1GPBAR1
SCHEMBL19912390 0.94 AR (0.42) ARKIF11BCAT2BCAT1GPBAR1
SCHEMBL19912543 0.93 AR (0.34) ARKIF11PDE9APDE1C
SCHEMBL20617089 0.92 AR (0.42) ARKIF11BCAT2BCAT1GPBAR1
SCHEMBL19903569 0.92 AR (0.46) ARKIF11BCAT2BCAT1GPBAR1
SCHEMBL19912556 0.92 KIF11 (0.37) ARKIF11BCAT2BCAT1PDE9A
SCHEMBL19912392 0.91 AR (0.44) ARBCAT2BCAT1GPBAR1PDK2
SCHEMBL19912545 0.91 KIF11 (0.36) ARKIF11BCAT2BCAT1PDE9A
SCHEMBL19903559 0.91 KIF11 (0.36) ARKIF11BCAT2BCAT1PDE9A

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 AR 4212/4885KIF11 3316/4885BCAT2 1141/4885

“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.