SCHEMBL4487875

SCHEMBL4487875

COc1cc(Nc2ncc(C(=O)Nc3c(Cl)cccc3Cl)c(Oc3ccccc3OC)n2)ccc1OCCN1CCN(C)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 3/20 0.48
BTK Q06187 3/20 0.48
LCK P06239 4/20 0.48
TNK2 Q07912 1/20 0.48
EGFR P00533 3/20 0.48
SRC P12931 3/20 0.47
KDR P35968 2/20 0.47
CSF1R P07333 4/20 0.47
MET P08581 2/20 0.47
BRD4 O60885 2/20 0.46
INSR P06213 1/20 0.45
FGFR1 P11362 1/20 0.44
MAP3K7 O43318 1/20 0.44
MAP2K1 Q02750 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
SCHEMBL4497860 0.96 JAK3 (0.52) JAK3BTKLCKTNK2EGFR
SCHEMBL4501652 0.92 LCK (0.57) JAK3BTKLCKTNK2EGFR
SCHEMBL4495272 0.91 CSF1R (0.53) JAK3BTKLCKEGFRSRC
SCHEMBL4498558 0.90 CSF1R (0.53) JAK3BTKLCKTNK2EGFR
SCHEMBL4496342 0.89 JAK3 (0.51) JAK3BTKLCKEGFRSRC
SCHEMBL4508592 0.88 LCK (0.56) JAK3BTKLCKTNK2EGFR
SCHEMBL4481353 0.88 LCK (0.47) JAK3BTKLCKTNK2EGFR
SCHEMBL4493902 0.87 PAK1 (0.59) TNK2EGFRSRCCSF1RBRD4
SCHEMBL4497254 0.86 LCK (0.53) JAK3BTKLCKTNK2SRC
SCHEMBL4504378 0.86 LCK (0.52) JAK3BTKLCKTNK2EGFR

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 1420/4885LCK 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.