SCHEMBL19917907

SCHEMBL19917907

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.38
RORC P51449 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
AR P10275 4/20 0.33
HRH1 P35367 1/20 0.32
HTR6 P50406 1/20 0.32
PGR P06401 2/20 0.32
XDH P47989 1/20 0.32
NR3C1 P04150 1/20 0.32
NR3C2 P08235 1/20 0.32
CTSS P25774 2/20 0.31
CTSK P43235 2/20 0.31
NR1H3 Q13133 1/20 0.31
CNR2 P34972 1/20 0.31
CYP2D6 P10635 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
NOS2 P35228 1/20 0.31
KCNH2 Q12809 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
SCHEMBL19912422 0.97 KIF11 (0.36) KIF11RORCTSHRSMN1; SMN2AR
SCHEMBL19912412 0.96 KIF11 (0.34) KIF11RORCTSHRSMN1; SMN2AR
SCHEMBL19912383 0.95 KIF11 (0.36) KIF11TSHRSMN1; SMN2ARPGR
SCHEMBL19912413 0.94 AR (0.35) KIF11RORCSMN1; SMN2ARHRH1
SCHEMBL19912445 0.93 AR (0.37) KIF11RORCARPGRXDH
SCHEMBL19912425 0.93 KIF11 (0.36) KIF11RORCTSHRSMN1; SMN2AR
SCHEMBL19903674 0.93 KIF11 (0.39) KIF11RORCTSHRSMN1; SMN2AR
SCHEMBL19912440 0.92 AR (0.36) KIF11RORCARPGRXDH
SCHEMBL19912414 0.92 AR (0.34) KIF11RORCSMN1; SMN2ARPGR
SCHEMBL19912418 0.92 AR (0.34) KIF11RORCSMN1; SMN2ARPGR

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 2 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
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 (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 3253/4885RORC 2856/4885TSHR 2705/4885
US-20180062086-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 KIF11 3316/4885RORC 2874/4885TSHR 2400/4885

“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.