SCHEMBL4342802

SCHEMBL4342802

O=C(Nc1cc(Oc2ccc([N+](=O)[O-])cc2F)ccn1)N1CCN(CCO)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
KDR P35968 8/20 0.42
AXL P30530 4/20 0.41
MET P08581 3/20 0.41
BRAF P15056 3/20 0.41
FGFR1 P11362 4/20 0.40
GCK P35557 1/20 0.40
PYGL P06737 1/20 0.40
PYGM P11217 1/20 0.40
FGFR2 P21802 1/20 0.40
FGFR3 P22607 1/20 0.40

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
SCHEMBL13861568 0.93 AXL (0.45) ALDH1A1KDRAXLMETBRAF
SCHEMBL4326121 0.90 AXL (0.41) ALDH1A1KDRAXLMETBRAF
SCHEMBL13860834 0.89 KDR (0.47) KDRAXLMETBRAFGCK
SCHEMBL200277 0.88 AXL (0.50) ALDH1A1KDRAXLMETBRAF
SCHEMBL13861353 0.88 MAPT (0.46) ALDH1A1KDRAXLMETBRAF
SCHEMBL27668583 0.87 AXL (0.41) KDRAXLMETBRAFGCK
SCHEMBL4330409 0.86 KDR (0.44) KDRAXLMETBRAFFGFR1
SCHEMBL13860977 0.86 AXL (0.52) ALDH1A1KDRAXLMETBRAF
SCHEMBL4335165 0.86 AXL (0.45) ALDH1A1KDRAXLMETBRAF
SCHEMBL13861349 0.85 AXL (0.42) ALDH1A1KDRAXLMETBRAF

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 12 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-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-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
US-20070270421-A1 Novel pyridine Derivative and Pyrimidine Derivative (1) EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-11-22 US disclosed
US-20070270421-A1 Novel pyridine Derivative and Pyrimidine Derivative (1) EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-11-22 US disclosed
CN-1906166-A Novel pyridine derivative and pyrimidine derivative (1) EISAI CO LTD (JP) 2007-01-31 CN disclosed
CN-1906167-A Novel pyridine derivative and pyrimidine derivative (2) EISAI CO LTD (JP) 2007-01-31 CN 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 ALDH1A1 557/4885KDR 7/4885AXL 87/4885
US-20050277652-A1 Novel pyridine derivative and pyrimidine derivative HGF, MET, HDGF ALDH1A1 930/4885KDR 7/4885AXL 116/4885

“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.