SCHEMBL19912577

SCHEMBL19912577

Cc1cc(-c2cc(-n3c4ccccc4c4ccc(C(F)(F)F)cc43)c(-n3c4ccccc4c4ccc(C(F)(F)F)cc43)cc2C#N)cc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.43
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAT2A P31153 4/20 0.34
XDH P47989 2/20 0.33
AR P10275 2/20 0.33
BCAT1 P54687 1/20 0.32
NR3C1 P04150 1/20 0.32
PGR P06401 1/20 0.32
NR3C2 P08235 1/20 0.32
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
SCN9A Q15858 2/20 0.31
CTSS P25774 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL19912569 0.95 KIF11 (0.38) KIF11TSHRSMN1; SMN2MAT2AXDH
SCHEMBL19912357 0.94 KIF11 (0.35) KIF11TSHRSMN1; SMN2MAT2AXDH
SCHEMBL19903504 0.93 KIF11 (0.44) KIF11TSHRSMN1; SMN2MAT2AXDH
SCHEMBL19912572 0.91 AR (0.38) KIF11XDHAR
SCHEMBL19912570 0.90 KIF11 (0.34) KIF11TSHRSMN1; SMN2XDHAR
SCHEMBL19917957 0.90 AR (0.36) KIF11TSHRSMN1; SMN2XDHAR
SCHEMBL19912356 0.90 AR (0.35) KIF11TSHRSMN1; SMN2MAT2AXDH
SCHEMBL22564564 0.90 KIF11 (0.41) KIF11TSHRSMN1; SMN2MAT2AXDH
SCHEMBL19912571 0.90 TSHR (0.34) KIF11TSHRSMN1; SMN2MAT2AXDH
SCHEMBL19917995 0.90 KIF11 (0.36) KIF11TSHRSMN1; SMN2XDHAR

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 3316/4885TSHR 2400/4885SMN1; SMN2 4419/4885

“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.