SCHEMBL12197872

SCHEMBL12197872

Brc1cc2c3ccccc3c(-c3cccc(-c4ccncc4)n3)cc2c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
NPC1 O15118 3/20 0.38
CYP3A4 P08684 2/20 0.38
AR P10275 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 4/20 0.38
MAPT P10636 3/20 0.38
HPGD P15428 3/20 0.38
MAPK1 P28482 3/20 0.37
LMNA P02545 2/20 0.37
RECQL P46063 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
DHODH Q02127 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35

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
SCHEMBL12315092 0.82 RAB9A (0.37) RAB9AKMT2AMEN1NPC1CYP3A4
SCHEMBL17116835 0.78 KMT2A (0.47) RAB9AKMT2AMEN1NPC1CYP3A4
SCHEMBL13658716 0.77 KDM4E (0.50) RAB9AKMT2AMEN1NPC1CYP3A4
SCHEMBL14478620 0.74 ALDH1A1 (0.37) RAB9AKMT2AMEN1NPC1CYP3A4
SCHEMBL11551239 0.73 RAB9A (0.62) RAB9AKMT2AMEN1NPC1CYP3A4
SCHEMBL24492832 0.73 KMT2A (0.46) RAB9AKMT2AMEN1NPC1CYP3A4
SCHEMBL18718020 0.72 RAB9A (0.44) RAB9AKMT2AMEN1NPC1CYP3A4
SCHEMBL12224657 0.72 ALDH1A1 (0.37) RAB9AKMT2AMEN1NPC1CYP3A4
SCHEMBL24993848 0.71 KMT2A (0.57) RAB9AKMT2AMEN1CYP1A2ALDH1A1
SCHEMBL18905318 0.71 RAB9A (0.76) RAB9AKMT2AMEN1NPC1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8384074-B2 Heterocyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2013-02-26 US disclosed
US-8384074-B2 Heterocyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2013-02-26 US disclosed
US-20110240978-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG MOBILE DISPLAY CO., LTD (KR) 2011-10-06 US disclosed
US-20110240978-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG MOBILE DISPLAY CO., LTD (KR) 2011-10-06 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-20110240978-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME LEF1, IDO1, NOD1 RAB9A 3693/4885KMT2A 3086/4885MEN1 630/4885

“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.