SCHEMBL19912566

SCHEMBL19912566

Cc1cc(-c2cc(-n3c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)c(C#N)c(-n3c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)c2)cc(C(F)(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.35
ADORA2B P29275 1/20 0.35
ALDH1A1 P00352 7/20 0.35
KDM4E B2RXH2 6/20 0.35
HPGD P15428 5/20 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 3/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
POLB P06746 2/20 0.32

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
SCHEMBL19912568 0.97 ALDH1A1 (0.34) ADORA1ADORA2BALDH1A1KDM4EHPGD
SCHEMBL19903591 0.93 CTSS (0.38) ADORA1ALDH1A1KDM4EHPGDGAA
SCHEMBL19912565 0.92 ADORA1 (0.35) ADORA1ADORA2BALDH1A1KDM4EHPGD
SCHEMBL19912563 0.92 ALDH1A1 (0.34) ADORA1ADORA2BALDH1A1KDM4EHPGD
SCHEMBL19912378 0.91 AR (0.37) ADORA1ADORA2BALDH1A1KDM4EHPGD
SCHEMBL20617083 0.90 RXRA (0.41) ADORA1ADORA2BALDH1A1KDM4EHPGD
SCHEMBL19912567 0.90 CTSS (0.32) ALDH1A1HPGDGAACTSSCTSK
SCHEMBL19903691 0.90 CTSS (0.36) ADORA1ALDH1A1KDM4EHPGDGAA
SCHEMBL19912562 0.90 PTGER4 (0.33) ALDH1A1KDM4EHPGDGAACTSS
SCHEMBL19912379 0.88 AR (0.35) ADORA1ADORA2BALDH1A1KDM4EHPGD

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.