SCHEMBL4331081

SCHEMBL4331081

CN1CC(N2CCC(N(C)C(=O)Nc3cc(Oc4ccc(N)cc4)ccn3)CC2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.46
BRAF P15056 11/20 0.46
GSK3B P49841 4/20 0.43
DYRK1A Q13627 4/20 0.43
WNT1 P04628 1/20 0.43
MET P08581 2/20 0.39
EPHB6 O15197 1/20 0.39
RIPK2 O43353 1/20 0.39
ABL1 P00519 1/20 0.39
NTRK1 P04629 1/20 0.39
LCK P06239 1/20 0.39
LYN P07948 1/20 0.39
RET P07949 1/20 0.39
HCK P08631 1/20 0.39
PDGFRB P09619 1/20 0.39
BCR P11274 1/20 0.39
EPHA2 P29317 1/20 0.39
EPHB2 P29323 1/20 0.39
FLT3 P36888 1/20 0.39
ABL2 P42684 1/20 0.39

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
SCHEMBL4330137 0.92 GSK3B (0.49) KDRBRAFGSK3BDYRK1AWNT1
SCHEMBL4323164 0.89 KDR (0.48) KDRBRAFMET
SCHEMBL4330508 0.88 MEN1 (0.43) KDRBRAFGSK3BDYRK1AWNT1
SCHEMBL4326793 0.84 KDR (0.41) KDRBRAFGSK3BDYRK1AWNT1
SCHEMBL13861384 0.83 KDR (0.50) KDRBRAFMETEPHB6RIPK2
SCHEMBL4330057 0.82 SLC6A5 (0.42) KDRBRAFGSK3BDYRK1AWNT1
SCHEMBL4328106 0.81 GSK3B (0.48) KDRBRAFGSK3BDYRK1AWNT1
SCHEMBL3552323 0.80 KDR (0.53) KDRBRAFGSK3BDYRK1A
SCHEMBL4335637 0.80 KDR (0.46) KDRBRAFMET
SCHEMBL4333734 0.79 MET (0.46) KDRBRAFMETEPHB6RIPK2

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 10 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
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 KDR 7/4885BRAF 68/4885GSK3B 2986/4885
US-20050277652-A1 Novel pyridine derivative and pyrimidine derivative HGF, MET, HDGF KDR 7/4885BRAF 64/4885GSK3B 3341/4885

“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.