SCHEMBL2295791

SCHEMBL2295791

c1ccc(N(c2ccc(N(c3ccccn3)c3ccccn3)cc2)c2ccccn2)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
CCR1 P32246 1/20 0.42
CCR5 P51681 1/20 0.42
CCR8 P51685 1/20 0.42
METAP1 P53582 1/20 0.42
BLM P54132 1/20 0.42
HIF1A Q16665 1/20 0.42
DOHH Q9BU89 1/20 0.42
P4HTM Q9NXG6 1/20 0.42
HDAC6 Q9UBN7 2/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KMT2A Q03164 2/20 0.39

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
SCHEMBL9206817 0.98 CYP2D6 (0.44) CYP2D6CYP2C19MAOAMAOBKDM4E
SCHEMBL15430871 0.93 ALDH1A1 (0.46) CYP2D6CYP2C19MAOAMAOBKDM4E
SCHEMBL2291346 0.93 CYP2D6 (0.41) CYP2D6CYP2C19MAOAMAOBKDM4E
SCHEMBL229388 0.93 ALDH1A1 (0.45) CYP2D6CYP2C19MAOAMAOBKDM4E
SCHEMBL10144439 0.91 HDAC6 (0.47) CYP2D6CYP2C19MAOAMAOBKDM4E
SCHEMBL14026195 0.89 CYP2D6 (0.39) CYP2D6CYP2C19MAOAMAOBKDM4E
SCHEMBL5907841 0.89 LMNA (0.40) CYP2D6CYP2C19MAOAMAOBKDM4E
SCHEMBL11968918 0.89 CYP2D6 (0.39) CYP2D6CYP2C19MAOAMAOBKDM4E
SCHEMBL29223986 0.89 CYP2D6 (0.39) CYP2D6CYP2C19MAOAMAOBKDM4E
SCHEMBL12394201 0.89 ALDH1A1 (0.51) CYP2D6CYP2C19MAOAMAOBKDM4E

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-7989089-B2 2-(9-anthryl)imidazo[4,5-f]-[1,10]phenanthroline (2) or 2-(2-pyridyl)imidazo[4,5-f]-[1,10]phenanthroline (4) LG DISPLAY CO., LTD. (KR) 2011-08-02 US disclosed
US-20060036114-A1 Organoboron luminescent compounds and methods of making and using same QUEEN'S UNIVERSITY AT KINGSTON (CA) 2006-02-16 US disclosed
US-20040265629-A1 Organic luminescent compounds and methods of making and using same QUEEN'S UNIVERSITY AT KINGSTON (CA) 2004-12-30 US disclosed
US-20040265628-A1 Organic luminescent compounds and methods of making and using same LG DISPLAY CO., LTD. (KP) 2004-12-30 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-20060036114-A1 Organoboron luminescent compounds and methods of making and using same SLC43A1, SLC1A5, SLC9B2 CYP2D6 543/4885CYP2C19 1442/4885MAOA 1507/4885

“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.