SCHEMBL4496954

SCHEMBL4496954

Cc1cccc(C)c1NC(=O)c1cnc(Nc2ccc(OCCN3CCN(C(C)C)CC3)c(F)c2)nc1Oc1ccc(CC(=O)N2CCCC2)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 4/20 0.44
LCK P06239 3/20 0.44
BTK Q06187 2/20 0.44
JAK3 P52333 1/20 0.43
KDR P35968 6/20 0.40
MET P08581 4/20 0.39
SIK1 P57059 2/20 0.39
SIK2 Q9H0K1 2/20 0.39
SIK3 Q9Y2K2 2/20 0.39
SRC P12931 1/20 0.39
BRD4 O60885 1/20 0.38
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38
EGFR P00533 1/20 0.38
INSR P06213 1/20 0.38
ALK Q9UM73 1/20 0.37

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
SCHEMBL4497408 0.95 EGFR (0.44) TNK2LCKBTKJAK3KDR
SCHEMBL5686202 0.94 TNK2 (0.46) TNK2LCKBTKJAK3KDR
SCHEMBL4504252 0.91 TNK2 (0.45) TNK2LCKBTKJAK3KDR
SCHEMBL4484235 0.91 TNK2 (0.49) TNK2LCKBTKJAK3KDR
SCHEMBL4507483 0.91 TNK2 (0.43) TNK2LCKBTKJAK3KDR
SCHEMBL4499829 0.89 BTK (0.44) TNK2LCKBTKJAK3KDR
SCHEMBL5686220 0.89 BTK (0.46) TNK2LCKBTKJAK3KDR
SCHEMBL4488342 0.88 NTRK1 (0.45) TNK2LCKBTKJAK3KDR
SCHEMBL4484340 0.88 TNK2 (0.47) TNK2LCKBTKJAK3KDR
SCHEMBL4481283 0.87 BTK (0.42) TNK2LCKBTKJAK3KDR

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 TNK2 1854/4885LCK 33/4885BTK 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.