SCHEMBL4496565

SCHEMBL4496565

COc1cc(CCC(=O)N2CCCC2)ccc1Oc1nc(Nc2ccc(N3CCN(C(C)C)CC3)cc2)ncc1C(=O)Nc1c(C)cccc1C

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LCK P06239 7/20 0.55
JAK3 P52333 2/20 0.55
TNK2 Q07912 2/20 0.55
BTK Q06187 1/20 0.55
TTK P33981 2/20 0.43
CDK1 P06493 2/20 0.42
CDK4 P11802 2/20 0.42
CCNB1 P14635 2/20 0.42
CCND1 P24385 2/20 0.42
CCNE1 P24864 2/20 0.42
CDK2 P24941 2/20 0.42
KDR P35968 2/20 0.42
MAPK14 Q16539 2/20 0.42
SRC P12931 6/20 0.41
FGFR1 P11362 2/20 0.41
TEK Q02763 1/20 0.41
KMT2A Q03164 1/20 0.41
NTRK1 P04629 1/20 0.41
LYN P07948 1/20 0.41

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
SCHEMBL4490570 0.93 LCK (0.57) LCKJAK3TNK2BTKTTK
SCHEMBL4508707 0.91 LCK (0.60) LCKJAK3TNK2BTKTTK
SCHEMBL5686293 0.91 LCK (0.56) LCKJAK3TNK2BTKTTK
SCHEMBL4497735 0.90 LCK (0.58) LCKJAK3TNK2BTKCDK1
SCHEMBL4500680 0.90 LCK (0.58) LCKJAK3TNK2BTKTTK
SCHEMBL4500249 0.89 LCK (0.55) LCKJAK3TNK2BTKTTK
SCHEMBL4499597 0.89 LCK (0.55) LCKJAK3TNK2BTKTTK
SCHEMBL4488995 0.89 LCK (0.53) LCKJAK3TNK2BTKTTK
SCHEMBL4495035 0.88 LCK (0.56) LCKJAK3TNK2BTKTTK
SCHEMBL4507641 0.87 LCK (0.57) LCKJAK3TNK2BTKKDR

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 LCK 33/4885JAK3 900/4885TNK2 1854/4885

“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.