SCHEMBL15840249

SCHEMBL15840249

Cc1ccc(-c2nc(C)nc(-c3ccccc3)n2)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.83
NPC1 O15118 5/20 0.56
RAB9A P51151 5/20 0.56
ALDH1A1 P00352 3/20 0.56
NFKB1 P19838 2/20 0.56
NFKB2 Q00653 2/20 0.56
RELA Q04206 2/20 0.56
NR1H2 P55055 2/20 0.55
NR1H3 Q13133 2/20 0.55
TDP1 Q9NUW8 2/20 0.53
CYP1A1 P04798 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP1B1 Q16678 1/20 0.51
DPP4 P27487 1/20 0.51
ADORA3 P0DMS8 2/20 0.49
ADORA2A P29274 2/20 0.49
ADORA1 P30542 2/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
XBP1 P17861 1/20 0.49

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
SCHEMBL12134959 0.93 L3MBTL1 (0.70) L3MBTL1NPC1RAB9AALDH1A1NFKB1
SCHEMBL6763917 0.93 L3MBTL1 (0.70) L3MBTL1NPC1RAB9AALDH1A1NFKB1
SCHEMBL23108627 0.93 L3MBTL1 (0.70) L3MBTL1NPC1RAB9AALDH1A1NFKB1
SCHEMBL13819656 0.91 L3MBTL1 (0.67) L3MBTL1NPC1RAB9AALDH1A1NFKB1
SCHEMBL20940397 0.91 L3MBTL1 (0.91) L3MBTL1NPC1RAB9AALDH1A1NFKB1
SCHEMBL12628245 0.91 L3MBTL1 (0.67) L3MBTL1NPC1RAB9AALDH1A1NFKB1
SCHEMBL25491464 0.91 L3MBTL1 (0.91) L3MBTL1NPC1RAB9AALDH1A1NFKB1
SCHEMBL10330368 0.91 L3MBTL1 (0.67) L3MBTL1NPC1RAB9AALDH1A1NFKB1
SCHEMBL12622363 0.91 L3MBTL1 (0.67) L3MBTL1NPC1RAB9AALDH1A1NFKB1
SCHEMBL16376442 0.91 L3MBTL1 (0.67) L3MBTL1NPC1RAB9AALDH1A1NFKB1

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-20170213978-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME NICHEM FINE TECHNOLOGY CO., LTD. (TW) 2017-07-27 US disclosed
WO-2014094963-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2014-06-26 WO 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-20170213978-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME OR51E2, OR10J3, ESR1 L3MBTL1 3540/4885NPC1 2043/4885RAB9A 1508/4885

“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.