SCHEMBL4490187

SCHEMBL4490187

CCOc1ccccc1Oc1nc(Nc2ccc(OCCCN3CCN(C)CC3)c(F)c2)ncc1C(=O)Nc1c(Cl)cccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 3/20 0.52
BTK Q06187 3/20 0.52
LCK P06239 3/20 0.52
TNK2 Q07912 3/20 0.52
CSF1R P07333 2/20 0.46
SRC P12931 4/20 0.43
KDR P35968 3/20 0.43
MAPK14 Q16539 1/20 0.43
EGFR P00533 2/20 0.43
MET P08581 5/20 0.43
INSR P06213 1/20 0.42
MAP3K7 O43318 1/20 0.42
MAP2K1 Q02750 1/20 0.42
SIK1 P57059 1/20 0.42
SIK2 Q9H0K1 1/20 0.42
SIK3 Q9Y2K2 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
SCHEMBL4492657 0.95 JAK3 (0.52) JAK3BTKLCKTNK2SRC
SCHEMBL4498558 0.94 CSF1R (0.53) JAK3BTKLCKTNK2CSF1R
SCHEMBL4480780 0.93 LCK (0.61) JAK3BTKLCKTNK2CSF1R
SCHEMBL4493427 0.92 CSF1R (0.47) JAK3BTKLCKTNK2CSF1R
SCHEMBL4494514 0.90 CSF1R (0.46) JAK3BTKLCKTNK2CSF1R
SCHEMBL4484358 0.90 LCK (0.51) JAK3BTKLCKTNK2CSF1R
SCHEMBL4495272 0.89 CSF1R (0.53) JAK3BTKLCKCSF1RSRC
SCHEMBL4497860 0.89 JAK3 (0.52) JAK3BTKLCKTNK2CSF1R
SCHEMBL4490254 0.89 KDR (0.50) JAK3BTKLCKTNK2CSF1R
SCHEMBL4502918 0.88 TNK2 (0.49) JAK3BTKLCKTNK2CSF1R

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 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.