SCHEMBL3398089

SCHEMBL3398089

COc1cc2c(C(C)=O)ccnc2cc1OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.53
SRC P12931 4/20 0.52
TGFBR1 P36897 4/20 0.52
ELANE P08246 1/20 0.49
SRD5A1 P18405 1/20 0.49
SRD5A2 P31213 1/20 0.49
PDPK1 O15530 1/20 0.48
KDM1A O60341 1/20 0.48
IRAK1 P51617 1/20 0.47
IRAK4 Q9NWZ3 1/20 0.47
HPGD P15428 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MET P08581 1/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CTSV O60911 1/20 0.46
CTSL P07711 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
SCHEMBL6592222 0.85 KDM1A (0.56) EGFRELANEPDPK1KDM1AIRAK1
SCHEMBL10296328 0.85 KDM1A (0.56) EGFRELANEPDPK1KDM1AIRAK1
SCHEMBL3904580 0.84 SRC (0.78) SRCTGFBR1MET
SCHEMBL3894196 0.83 SRC (0.63) SRCTGFBR1MET
SCHEMBL371659 0.83 KDM1A (0.52) EGFRELANEPDPK1KDM1AIRAK1
SCHEMBL18676689 0.83 KDM1A (0.52) EGFRELANEPDPK1KDM1AIRAK1
SCHEMBL30465578 0.83 KDM1A (0.52) EGFRELANEPDPK1KDM1AIRAK1
SCHEMBL10947690 0.81 ELANE (0.52) EGFRELANEPDPK1KDM1AIRAK1
SCHEMBL13271522 0.81 KDM1A (0.53) EGFRELANEPDPK1KDM1AIRAK1
SCHEMBL21884844 0.81 KDM1A (0.53) EGFRELANEPDPK1KDM1AIRAK1

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 EGFR 11/4885SRC 35/4885TGFBR1 1870/4885

“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.