SCHEMBL19903672

SCHEMBL19903672

N#Cc1cc(-n2c3ccccc3c3ccc(C(F)(F)F)cc32)c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1-n1c2ccccc2c2ccc(C(F)(F)F)cc21

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.44
MAT2A P31153 4/20 0.35
CTSS P25774 3/20 0.33
CNR2 P34972 1/20 0.33
KDM4E B2RXH2 2/20 0.32
HSP90AA1 P07900 1/20 0.32
AR P10275 1/20 0.32
TAS2R14 Q9NYV8 1/20 0.32
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
CTSK P43235 2/20 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
SCHEMBL19903671 0.95 KIF11 (0.39) KIF11MAT2ACTSSKDM4EAR
SCHEMBL22564390 0.95 KIF11 (0.41) KIF11MAT2ACTSSCNR2KDM4E
SCHEMBL19903500 0.94 KIF11 (0.37) KIF11CTSSCNR2KDM4EAR
SCHEMBL19918036 0.94 KIF11 (0.41) KIF11MAT2ACTSSARCTSK
SCHEMBL19903674 0.93 KIF11 (0.39) KIF11CTSSCNR2KDM4EHSP90AA1
SCHEMBL19903504 0.93 KIF11 (0.44) KIF11MAT2ACTSSCNR2KDM4E
SCHEMBL19917918 0.92 KIF11 (0.35) KIF11CTSSKDM4EARALDH1A1
SCHEMBL19918039 0.91 AR (0.35) KIF11AR
SCHEMBL21414185 0.91 KIF11 (0.42) KIF11MAT2ACNR2KDM4EHSP90AA1
SCHEMBL19918037 0.91 AR (0.35) KIF11AR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10439151-B2 Organic molecules, especially for use in organic optoelectronic devices CYNORA GMBH (DE) 2019-10-08 US disclosed
EP-3360945-B1 ORGANIC ELECTROLUMINESCENT DEVICE CYNORA GMBH (DE) 2019-04-24 EP disclosed
US-20180062086-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2018-03-01 US disclosed
EP-3287450-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-02-28 EP 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-10439151-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, ORC3, AOC3 KIF11 3253/4885MAT2A 2881/4885CTSS 4248/4885
US-20180062086-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 KIF11 3316/4885MAT2A 2653/4885CTSS 4073/4885

“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.