SCHEMBL4498752

SCHEMBL4498752

COc1cc(C(=O)NC2CCCC2)ccc1Oc1nc(Nc2cc(OC)c(OC)c(OCCCN3CCN(C)CC3)c2)ncc1C(=O)Nc1c(C)cccc1C

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 11/20 0.48
BRD4 O60885 2/20 0.46
TTK P33981 2/20 0.45
ULK1 O75385 1/20 0.45
TBK1 Q9UHD2 1/20 0.44
LCK P06239 3/20 0.43
JAK3 P52333 1/20 0.43
BTK Q06187 1/20 0.43
TNK2 Q07912 1/20 0.43
SRC P12931 1/20 0.43
KDR P35968 1/20 0.43
MAPK14 Q16539 1/20 0.43

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
SCHEMBL4497538 0.95 PTK2 (0.47) PTK2BRD4TTKULK1TBK1
SCHEMBL4490581 0.92 TBK1 (0.46) PTK2ULK1TBK1LCKJAK3
SCHEMBL4482664 0.91 PTK2 (0.46) PTK2TBK1LCKJAK3BTK
SCHEMBL4497902 0.91 AXL (0.51) PTK2TTKLCKJAK3BTK
SCHEMBL5686155 0.91 PTK2 (0.46) PTK2TBK1LCKJAK3BTK
SCHEMBL4484671 0.91 PTK2 (0.43) PTK2ULK1TBK1LCKJAK3
SCHEMBL4497446 0.90 TBK1 (0.45) PTK2TTKTBK1LCKJAK3
SCHEMBL4506463 0.88 LCK (0.52) PTK2BRD4ULK1TBK1LCK
SCHEMBL4495245 0.88 LCK (0.45) PTK2BRD4ULK1TBK1LCK
SCHEMBL4507242 0.87 LRRK2 (0.45) TBK1LCKJAK3BTKTNK2

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
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
US-20050209221-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-09-22 US 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 PTK2 1310/4885BRD4 334/4885TTK 3470/4885

“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.