SCHEMBL4496514

SCHEMBL4496514

CCN(CC)C(=O)c1ccc(Oc2nc(Nc3ccc(OCCCN4CCCCC4)c(F)c3)ncc2C(=O)Nc2ccccc2F)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 2/20 0.42
BTK Q06187 2/20 0.42
TNK2 Q07912 2/20 0.41
KDR P35968 3/20 0.41
FLT1 P17948 1/20 0.41
FLT4 P35916 1/20 0.41
LCK P06239 1/20 0.41
SRC P12931 1/20 0.41
MAPK14 Q16539 1/20 0.41
MET P08581 8/20 0.40
BRD4 O60885 1/20 0.40
JAK1 P23458 1/20 0.40
HDAC1 Q13547 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
EGFR P00533 3/20 0.40
INSR P06213 2/20 0.40
AXL P30530 1/20 0.40
CNR2 P34972 1/20 0.40
KIT P10721 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
SCHEMBL4498355 0.95 BTK (0.43) JAK3BTKKDRLCKSRC
SCHEMBL4501586 0.93 JAK3 (0.40) JAK3BTKTNK2KDRFLT1
SCHEMBL4484725 0.93 TNK2 (0.44) JAK3BTKTNK2KDRLCK
SCHEMBL4500176 0.92 MET (0.42) JAK3BTKTNK2KDRFLT1
SCHEMBL4499640 0.92 KDR (0.41) JAK3BTKTNK2KDRFLT1
SCHEMBL4506311 0.91 TNK2 (0.47) JAK3BTKTNK2KDRLCK
SCHEMBL4496212 0.91 JAK3 (0.40) JAK3BTKTNK2KDRLCK
SCHEMBL5686187 0.91 JAK3 (0.40) JAK3BTKTNK2KDRLCK
SCHEMBL5689464 0.90 TNK2 (0.42) JAK3BTKTNK2KDRFLT1
SCHEMBL4496807 0.90 TNK2 (0.42) JAK3BTKTNK2KDRFLT1

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 JAK3 900/4885BTK 1420/4885TNK2 1854/4885

“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.