SCHEMBL3552095

SCHEMBL3552095

CN1CCC(N(C)C(=O)Nc2cc(Oc3ccc(N(C(=O)C4(C(N)=O)CC4)c4cccnc4)c(F)c3)ccn2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.40
GSK3B P49841 8/20 0.40
DYRK1A Q13627 8/20 0.40
MET P08581 3/20 0.40
ABL1 P00519 2/20 0.40
MAPK14 Q16539 2/20 0.40
EPHB6 O15197 1/20 0.40
RIPK2 O43353 1/20 0.40
NTRK1 P04629 1/20 0.40
LCK P06239 1/20 0.40
LYN P07948 1/20 0.40
RET P07949 1/20 0.40
HCK P08631 1/20 0.40
PDGFRB P09619 1/20 0.40
BCR P11274 1/20 0.40
EPHA2 P29317 1/20 0.40
EPHB2 P29323 1/20 0.40
FLT3 P36888 1/20 0.40
ABL2 P42684 1/20 0.40
FRK P42685 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
SCHEMBL2253556 0.93 KDR (0.42) KDRGSK3BDYRK1AMETABL1
Sulfuric Acid SCHEMBL3617411 0.91 KDR (0.40) KDRGSK3BDYRK1AMETABL1
SCHEMBL2256824 0.90 KDR (0.46) KDRGSK3BDYRK1AMETABL1
SCHEMBL3554141 0.90 KDR (0.42) KDRGSK3BDYRK1AMETABL1
SCHEMBL3556041 0.90 KDR (0.46) KDRGSK3BDYRK1AMETABL1
SCHEMBL3561174 0.87 KDR (0.42) KDRGSK3BDYRK1AMETABL1
SCHEMBL3554576 0.87 KDR (0.45) KDRGSK3BDYRK1AMETABL1
SCHEMBL2248636 0.86 KDR (0.37) KDRGSK3BDYRK1AMETABL1
SCHEMBL2257058 0.86 KDR (0.42) KDRGSK3BDYRK1AMETABL1
SCHEMBL2256295 0.86 KDR (0.44) KDRGSK3BDYRK1AMETABL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288538-B2 Pyridine derivatives and pyrimidine derivatives (3) EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-10-16 US disclosed
US-7855290-B2 N-[4-({2-[({4-[2-(Dimethylamino)ethyl]piperazin-1-yl}carbonyl)amino]pyridin-4-yl}oxy)-2-fluorophenyl]-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide; hepatocyte growth factor receptor (HGFR) inhibitors; antitumor, -carcinogenic, -metastasis agents EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-21 US disclosed
US-20100075944-A1 NOVEL PYRIDINE DERIVATIVES AND PYRIMIDINE DERIVATIVES (3) MATSUSHIMA TOMOHIRO 2010-03-25 US disclosed
US-20080319188-A1 Novel pyridine derivatives and pyrimidine derivatives (3) EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-12-25 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-20080319188-A1 Novel pyridine derivatives and pyrimidine derivatives (3) HGF, MET, FLT4 KDR 8/4885GSK3B 2949/4885DYRK1A 2762/4885
US-20100075944-A1 NOVEL PYRIDINE DERIVATIVES AND PYRIMIDINE DERIVATIVES (3) HGF, MET, HDGF KDR 9/4885GSK3B 3423/4885DYRK1A 2937/4885

“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.