SCHEMBL4507537

SCHEMBL4507537

C=CCc1ccc(Oc2nc(Nc3ccc(OCCCN4CCCCC4)c(F)c3)ncc2C(=O)Nc2c(C)cccc2C)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 3/20 0.49
LCK P06239 4/20 0.49
KDR P35968 4/20 0.49
SRC P12931 2/20 0.49
MAPK14 Q16539 2/20 0.49
BTK Q06187 5/20 0.47
JAK3 P52333 4/20 0.47
MET P08581 7/20 0.44
KIT P10721 1/20 0.44
PDGFRA P16234 1/20 0.44
FLT3 P36888 1/20 0.44
MST1R Q04912 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SIK1 P57059 2/20 0.42
SIK2 Q9H0K1 2/20 0.42
SIK3 Q9Y2K2 2/20 0.42
EGFR P00533 1/20 0.42
ITK Q08881 1/20 0.42

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
SCHEMBL4499532 0.95 LCK (0.49) TNK2LCKKDRSRCMAPK14
SCHEMBL4500908 0.91 TNK2 (0.50) TNK2LCKKDRSRCMAPK14
SCHEMBL4507695 0.91 TNK2 (0.50) TNK2LCKKDRSRCMAPK14
SCHEMBL4508549 0.91 TNK2 (0.49) TNK2LCKKDRSRCMAPK14
SCHEMBL4507099 0.90 TNK2 (0.54) TNK2LCKKDRSRCMAPK14
SCHEMBL4495349 0.89 TNK2 (0.52) TNK2LCKKDRSRCMAPK14
SCHEMBL4508413 0.89 TNK2 (0.52) TNK2LCKKDRSRCMAPK14
SCHEMBL4500225 0.89 TNK2 (0.48) TNK2LCKKDRSRCMAPK14
SCHEMBL4503895 0.89 LCK (0.49) TNK2LCKKDRSRCMAPK14
SCHEMBL4496870 0.89 LCK (0.49) TNK2LCKKDRSRCMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-20050209221-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-09-22 US claimed
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 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 1854/4885LCK 33/4885KDR 3785/4885

“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.