SCHEMBL4331900

SCHEMBL4331900

CN1CCC(N2CCN(C(=O)Nc3cc(Oc4ccc([N+](=O)[O-])cc4)ncn3)CC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 7/20 0.54
MERTK Q12866 7/20 0.54
PDGFRB P09619 4/20 0.43
KDR P35968 4/20 0.43
MET P08581 3/20 0.43
FLT3 P36888 2/20 0.43
EPHB6 O15197 1/20 0.43
RIPK2 O43353 1/20 0.43
ABL1 P00519 1/20 0.43
NTRK1 P04629 1/20 0.43
LCK P06239 1/20 0.43
LYN P07948 1/20 0.43
RET P07949 1/20 0.43
HCK P08631 1/20 0.43
BCR P11274 1/20 0.43
EPHA2 P29317 1/20 0.43
EPHB2 P29323 1/20 0.43
ABL2 P42684 1/20 0.43
FRK P42685 1/20 0.43
LIMK1 P53667 1/20 0.43

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
SCHEMBL4321668 0.96 AXL (0.58) AXLMERTKPDGFRBKDRMET
SCHEMBL4337402 0.88 KDR (0.55) AXLMERTKPDGFRBKDRMET
SCHEMBL4339583 0.88 AXL (0.48) AXLMERTKPDGFRBKDRMET
SCHEMBL4326376 0.87 AXL (0.57) AXLMERTKPDGFRBKDRMET
SCHEMBL4328346 0.85 KDR (0.58) AXLMERTKPDGFRBKDRMET
SCHEMBL4321306 0.84 AXL (0.51) AXLMERTKPDGFRBKDRMET
SCHEMBL4321661 0.84 AXL (0.61) AXLMERTKPDGFRBKDRMET
SCHEMBL4328144 0.81 PDGFRB (0.44) AXLMERTKPDGFRBFLT3KIT
SCHEMBL4328139 0.81 PDGFRB (0.42) AXLMERTKPDGFRBFLT3KIT
SCHEMBL4330800 0.81 ALDH1A1 (0.48) KDRGSK3BDYRK1A

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 AXL 87/4885MERTK 2359/4885PDGFRB 31/4885
US-20050277652-A1 Novel pyridine derivative and pyrimidine derivative HGF, MET, HDGF AXL 116/4885MERTK 2620/4885PDGFRB 26/4885

“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.