SCHEMBL4496785

SCHEMBL4496785

COc1cc(Nc2ncc(C(=O)Nc3c(C)cccc3C)c(Oc3ccccc3)n2)ccc1OCCCN1CCN(C)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.52
LCK P06239 7/20 0.52
SRC P12931 6/20 0.52
MAPK14 Q16539 3/20 0.52
JAK3 P52333 5/20 0.52
BTK Q06187 5/20 0.52
TNK2 Q07912 1/20 0.52
MCHR1 Q99705 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
ITK Q08881 1/20 0.46
EGFR P00533 5/20 0.45
JAK2 O60674 1/20 0.44
MET P08581 1/20 0.44

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
SCHEMBL4504378 0.96 LCK (0.52) KDRLCKSRCMAPK14JAK3
SCHEMBL4509912 0.95 LCK (0.55) KDRLCKSRCMAPK14JAK3
SCHEMBL4508592 0.94 LCK (0.56) KDRLCKSRCMAPK14JAK3
SCHEMBL4498991 0.92 LCK (0.52) KDRLCKSRCMAPK14JAK3
SCHEMBL4503292 0.92 LCK (0.52) KDRLCKSRCMAPK14JAK3
SCHEMBL4502869 0.92 LCK (0.51) KDRLCKSRCMAPK14JAK3
SCHEMBL4501652 0.91 LCK (0.57) KDRLCKSRCMAPK14JAK3
SCHEMBL4488130 0.90 LCK (0.51) KDRLCKSRCMAPK14JAK3
SCHEMBL4493570 0.90 LCK (0.64) KDRLCKSRCMAPK14JAK3
SCHEMBL4496257 0.90 LCK (0.52) KDRLCKSRCMAPK14JAK3

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 KDR 3785/4885LCK 33/4885SRC 2472/4885

“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.