SCHEMBL3399608

SCHEMBL3399608

O=Cc1ccnc2ccc(OCc3ccccc3)cc12

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.56
CYP3A4 P08684 2/20 0.52
MAOA P21397 2/20 0.51
MAOB P27338 2/20 0.51
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
PLAU P00749 1/20 0.49
PLAT P00750 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ALOX5 P09917 1/20 0.46
PKM P14618 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
EGFR P00533 1/20 0.46
ERBB2 P04626 1/20 0.46

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
SCHEMBL3400506 0.83 IP6K1 (0.53) IP6K1CYP3A4MAOAMAOBNPC1
SCHEMBL8327914 0.81 MAOA (0.61) IP6K1CYP3A4MAOAMAOBNPC1
SCHEMBL3899573 0.80 IP6K1 (0.56) IP6K1CYP3A4MAOAMAOBNPC1
SCHEMBL26355932 0.80 IP6K1 (0.56) IP6K1CYP3A4MAOAMAOBNPC1
SCHEMBL30530239 0.80 IP6K1 (0.56) IP6K1CYP3A4MAOAMAOBNPC1
SCHEMBL1486580 0.80 IP6K1 (0.56) IP6K1CYP3A4MAOAMAOBNPC1
SCHEMBL14117442 0.80 MAOB (0.56) IP6K1CYP3A4MAOAMAOBNPC1
SCHEMBL30530243 0.80 MAOB (0.61) IP6K1CYP3A4MAOAMAOBNPC1
SCHEMBL30530234 0.80 LMNA (0.64) IP6K1CYP3A4MAOBPLAUPLAT
SCHEMBL26355934 0.80 MAOB (0.61) IP6K1CYP3A4MAOAMAOBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110053935-A1 FUSED PYRIDINES ACTIVE AS INHIBITORS OF C-MET F. HOFFMANN-LA ROCHE AG (CH) 2011-03-03 US disclosed
EP-2247584-A1 FUSED PYRIDINES ACTIVE AS INHIBITORS OF C-MET F. Hoffmann-La Roche AG (CH) 2010-11-10 EP disclosed
WO-2009093049-A1 FUSED PYRIDINES ACTIVE AS INHIBITORS OF C-MET F. HOFFMANN-LA ROCHE AG (CH) 2009-07-30 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-20110053935-A1 FUSED PYRIDINES ACTIVE AS INHIBITORS OF C-MET MET, ROS1, ABL1 IP6K1 1530/4885CYP3A4 371/4885MAOA 1851/4885

“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.