SCHEMBL4325879

SCHEMBL4325879

Cc1cc(N)ccc1Oc1ccnc(N)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.51
NOS1 P29475 3/20 0.51
NOS2 P35228 3/20 0.51
KDM4E B2RXH2 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SCN5A Q14524 1/20 0.42
SCN9A Q15858 1/20 0.42
MET P08581 4/20 0.41
PIM1 P11309 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
POLB P06746 2/20 0.39
ALOX5AP P20292 2/20 0.39
FEN1 P39748 2/20 0.39
PDE10A Q9Y233 1/20 0.39
ALDH1A1 P00352 2/20 0.38
DYRK1A Q13627 1/20 0.38
CASP1 P29466 2/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL4800469 0.87 SCN5A (0.40) NOS3NOS1NOS2KDM4EMEN1
SCHEMBL2028930 0.84 SCN9A (0.43) NOS3NOS1NOS2KDM4EMEN1
SCHEMBL15044498 0.84 AAK1 (0.38) NOS3NOS1NOS2KDM4EMEN1
SCHEMBL13038567 0.82 NOS3 (0.46) NOS3NOS1NOS2KDM4EMEN1
SCHEMBL30354890 0.81 ALDH1A1 (0.42) KDM4EMEN1KMT2ASCN5ASCN9A
SCHEMBL4797567 0.81 ALDH1A1 (0.42) KDM4EMEN1KMT2ASCN5ASCN9A
SCHEMBL24168318 0.81 KDM4E (0.40) KDM4EMEN1KMT2ASCN5ASCN9A
SCHEMBL3370657 0.81 ALOX5AP (0.44) KDM4EMEN1KMT2ASCN5ASCN9A
SCHEMBL1136810 0.81 MET (0.55) NOS3NOS1NOS2METALOX5AP
SCHEMBL29631575 0.81 MET (0.55) NOS3NOS1NOS2METALOX5AP

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
EP-1719762-B1 NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (1) EISAI R&D MAN CO LTD (JP) 2012-06-27 EP disclosed
US-7531532-B2 Hepatocyte growth factor receptor inhibitors; Antitumor agents, anticarcinogenic agents, angiogenesis inhibitors; pyrimidine derivatives like Pyrrolidine-1-carboxylic acid [6-(2-fluoro-4-{3-[2-(4-fluorophenyl)acetyl]thioureido}phenoxy)pyrimidin-4-yl]amide EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-05-12 US disclosed
US-20070270421-A1 Novel pyridine Derivative and Pyrimidine Derivative (1) EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-11-22 US disclosed
EP-1719763-A1 NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (2) Eisai Co., Ltd. (JP) 2006-11-08 EP disclosed
EP-1719762-A1 NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (1) Eisai Co., Ltd. (JP) 2006-11-08 EP disclosed
US-20050277652-A1 Novel pyridine derivative and pyrimidine derivative EISAI CO., LTD. (JP) 2005-12-15 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 (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-20070270421-A1 Novel pyridine Derivative and Pyrimidine Derivative (1) HGF, MET, FLT1 NOS3 1246/4885NOS1 1263/4885NOS2 2017/4885
US-20050277652-A1 Novel pyridine derivative and pyrimidine derivative HGF, MET, HDGF NOS3 1466/4885NOS1 1613/4885NOS2 2215/4885

“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.