SCHEMBL12551591

SCHEMBL12551591

c1ccc(-c2nc(Cc3nc(-c4ccccc4)nc(-c4ccccc4)n3)nc(-c3ccccc3)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ ADORA2A P29274 3/20 0.50
▸ ADORA1 P30542 3/20 0.50
▸ ADORA3 P0DMS8 2/20 0.50
▸ ADORA2B P29275 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ MEN1 O00255 6/20 0.47
▸ KMT2A Q03164 6/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ HTT P42858 1/20 0.45
▸ NR1H2 P55055 2/20 0.42
▸ NR1H3 Q13133 2/20 0.42
▸ DPP4 P27487 1/20 0.42
▸ NTSR1 P30989 1/20 0.42
▸ NR1H4 Q96RI1 1/20 0.41

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
SCHEMBL12551594 0.95 L3MBTL1 (0.52) L3MBTL1ADORA2AADORA1ADORA3ADORA2B
SCHEMBL12551595 0.87 L3MBTL1 (0.43) L3MBTL1ADORA2AADORA1ADORA3ADORA2B
SCHEMBL12551593 0.85 GP6 (0.46) L3MBTL1ADORA2AADORA1ADORA3ADORA2B
SCHEMBL371042 0.84 L3MBTL1 (0.74) L3MBTL1ADORA2AADORA1ADORA3ADORA2B
SCHEMBL12551592 0.82 GPR55 (0.44) L3MBTL1ADORA2AADORA1ADORA3ADORA2B
SCHEMBL12551610 0.82 MAPK1 (0.46) L3MBTL1NPC1RAB9AMAPK1MEN1
SCHEMBL12551661 0.82 L3MBTL1 (0.44) L3MBTL1ADORA2AADORA1ADORA3ADORA2B
SCHEMBL11978708 0.81 L3MBTL1 (0.58) L3MBTL1ADORA2AADORA1ADORA3ADORA2B
SCHEMBL12951259 0.81 DPP4 (0.53) L3MBTL1ADORA2AADORA1ADORA3ADORA2B
SCHEMBL28401894 0.81 L3MBTL1 (0.52) L3MBTL1ADORA2AADORA1ADORA3ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160240782-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2016-08-18 — — US disclosed
US-20160240782-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2016-08-18 — — US disclosed
EP-2307520-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2015-11-11 — — EP disclosed
US-20110140043-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2011-06-16 — — US disclosed
US-20110140043-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2011-06-16 — — US disclosed
WO-2010006680-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2010-01-21 — — 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 (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-20110140043-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICE L1CAM, SLCO4C1, GJA1 L3MBTL1 2095/4885ADORA2A 3304/4885ADORA1 2092/4885
US-20160240782-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICE L1CAM, SLCO4C1, GJA1 L3MBTL1 2095/4885ADORA2A 3304/4885ADORA1 2092/4885

“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.

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