SCHEMBL19912565

SCHEMBL19912565

Cc1cc(-c2cc(-n3c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc4c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc43)c(C#N)c(-n3c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc4c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc43)c2)cc(C(F)(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.35
ADORA2B P29275 1/20 0.35
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 4/20 0.35
HPGD P15428 4/20 0.35
GAA P10253 2/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
TDP1 Q9NUW8 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
KDM5B Q9UGL1 2/20 0.33
FLT1 P17948 1/20 0.33
FLT4 P35916 1/20 0.33
KDR P35968 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
KDM4A O75164 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL19912563 0.97 ALDH1A1 (0.34) ADORA1ADORA2BALDH1A1KDM4EHPGD
SCHEMBL19917980 0.93 CTSS (0.38) ADORA1ALDH1A1KDM4EHPGDGAA
SCHEMBL19912566 0.92 ADORA1 (0.35) ADORA1ADORA2BALDH1A1KDM4EHPGD
SCHEMBL19912568 0.92 ALDH1A1 (0.34) ADORA1ADORA2BALDH1A1KDM4EHPGD
SCHEMBL19912527 0.91 AR (0.37) ADORA1ADORA2BALDH1A1KDM4EHPGD
SCHEMBL19903485 0.90 CTSS (0.36) ADORA1ALDH1A1KDM4EHPGDGAA
SCHEMBL22822279 0.90 RXRA (0.41) ADORA1ADORA2BALDH1A1KDM4EHPGD
SCHEMBL19912564 0.90 KIF11 (0.32) ALDH1A1KDM4EHPGDGAACTSS
SCHEMBL19912524 0.88 KIF11 (0.35) ADORA1ADORA2BALDH1A1KDM4EHPGD
SCHEMBL19912550 0.88 AR (0.35) ALDH1A1HPGDGAAKDM5BKDM4A

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 ADORA1 4691/4885ADORA2B 4645/4885ALDH1A1 817/4885

“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.