SCHEMBL4496807

SCHEMBL4496807

CCN(CC)C(=O)c1ccc(Oc2nc(Nc3ccc(OCCCN4CCCCC4)c(F)c3)ncc2C(=O)Nc2c(C)cc(F)cc2C)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 4/20 0.42
KDR P35968 5/20 0.42
LCK P06239 4/20 0.42
SRC P12931 2/20 0.42
MAPK14 Q16539 2/20 0.42
BTK Q06187 4/20 0.40
JAK3 P52333 3/20 0.40
AXL P30530 2/20 0.38
INSR P06213 1/20 0.38
MET P08581 4/20 0.37
BCHE P06276 1/20 0.37
CNR2 P34972 1/20 0.37
CSF1R P07333 2/20 0.37
FLT1 P17948 1/20 0.36
FLT4 P35916 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
SCHEMBL5689464 0.96 TNK2 (0.42) TNK2KDRLCKSRCMAPK14
SCHEMBL4483915 0.95 LCK (0.42) TNK2KDRLCKSRCMAPK14
SCHEMBL4506311 0.95 TNK2 (0.47) TNK2KDRLCKSRCMAPK14
SCHEMBL5686187 0.95 JAK3 (0.40) TNK2KDRLCKSRCMAPK14
SCHEMBL4496212 0.95 JAK3 (0.40) TNK2KDRLCKSRCMAPK14
SCHEMBL4484725 0.93 TNK2 (0.44) TNK2KDRLCKSRCMAPK14
SCHEMBL4500176 0.93 MET (0.42) TNK2KDRLCKSRCMAPK14
SCHEMBL5686186 0.92 SRC (0.42) TNK2KDRLCKSRCMAPK14
SCHEMBL4499640 0.90 KDR (0.41) TNK2KDRLCKSRCMAPK14
SCHEMBL4496586 0.90 SRC (0.46) TNK2KDRLCKSRCMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050209221-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-09-22 US claimed
US-7504396-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-03-17 US disclosed
EP-1648464-A1 2-AMINO-4-HYDROXY-5-PYRIMIDINCARBOXAMID DERIVATIVES AND RELATED COMPOUNDS AS T-CELL ACTIVATION INHIBITORS FOR THE TREATMENT OF INFLAMMATIONS AMGEN INC. (US) 2006-04-26 EP disclosed
US-20050209221-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-09-22 US disclosed
WO-2005009443-A1 2-AMINO-4-HYDROXY-5-PYRIMIDINECARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF T CELL ACTIVATION FOR THE TREATMENT OF INFLAMMATORY DISEASES AMGEN INC. (US) 2005-02-03 WO 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 (1 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-20050209221-A1 Substituted heterocyclic compounds and methods of use ICOS, CD4, HLA-DRB1 TNK2 1854/4885KDR 3785/4885LCK 33/4885

“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.