SCHEMBL4493518

SCHEMBL4493518

Cc1cccc(C)c1NC(=O)c1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1Oc1cccc(F)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 4/20 0.60
JAK3 P52333 3/20 0.60
BTK Q06187 1/20 0.60
TNK2 Q07912 1/20 0.60
CDK4 P11802 2/20 0.57
CCND1 P24385 2/20 0.57
EGFR P00533 2/20 0.56
JAK2 O60674 1/20 0.56
BLK P51451 1/20 0.56
BMX P51813 1/20 0.56
SRC P12931 6/20 0.55
KDR P35968 3/20 0.55
MAPK14 Q16539 3/20 0.55
TEK Q02763 1/20 0.55
CTSC P53634 1/20 0.54
HCK P08631 1/20 0.53
FGFR1 P11362 1/20 0.53
SIK1 P57059 2/20 0.52
SIK2 Q9H0K1 2/20 0.52
SIK3 Q9Y2K2 2/20 0.52

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
SCHEMBL4504301 0.92 LCK (0.64) LCKJAK3BTKTNK2CDK4
SCHEMBL5686375 0.92 JAK3 (0.60) LCKJAK3BTKTNK2CDK4
SCHEMBL4501986 0.92 LCK (0.58) LCKJAK3BTKTNK2CDK4
SCHEMBL4487350 0.91 LCK (0.66) LCKJAK3BTKTNK2CDK4
SCHEMBL4486997 0.91 LCK (0.60) LCKJAK3BTKTNK2CDK4
SCHEMBL4498373 0.90 LCK (0.58) LCKJAK3BTKTNK2CDK4
SCHEMBL4498170 0.90 SIK1 (0.65) LCKJAK3BTKTNK2CDK4
SCHEMBL4489780 0.90 LCK (0.61) LCKJAK3BTKTNK2EGFR
SCHEMBL4488353 0.90 LCK (0.63) LCKJAK3BTKTNK2CDK4
SCHEMBL4496757 0.90 LCK (0.65) LCKJAK3BTKTNK2CDK4

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 LCK 33/4885JAK3 900/4885BTK 1420/4885

“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.