SCHEMBL4488995

SCHEMBL4488995

COc1cc(CCC(=O)N2CCCC2)ccc1Oc1nc(Nc2ccccc2)ncc1C(=O)Nc1c(C)cccc1C

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LCK P06239 5/20 0.53
JAK3 P52333 1/20 0.53
BTK Q06187 1/20 0.53
TNK2 Q07912 1/20 0.53
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
TTK P33981 2/20 0.40
ITK Q08881 1/20 0.40
ROCK2 O75116 1/20 0.39
CDK1 P06493 1/20 0.39
KDR P35968 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
FFAR1 O14842 1/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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 0.91 LCK (0.57) LCKJAK3BTKTNK2TTK
SCHEMBL4496565 0.89 LCK (0.55) LCKJAK3BTKTNK2TTK
SCHEMBL5686293 0.88 LCK (0.56) LCKJAK3BTKTNK2TTK
SCHEMBL4482417 0.87 LCK (0.42) LCKJAK3BTKTNK2TTK
SCHEMBL4496941 0.86 SIK1 (0.55) LCKJAK3BTKTNK2KDR
SCHEMBL4500225 0.86 TNK2 (0.48) LCKJAK3BTKTNK2KDR
SCHEMBL4497631 0.85 LCK (0.47) LCKJAK3BTKTNK2KDR
SCHEMBL5686197 0.84 LCK (0.44) LCKJAK3BTKTNK2KDR
SCHEMBL4496243 0.84 BTK (0.44) LCKJAK3BTKTNK2ITK
SCHEMBL4496631 0.84 LCK (0.41) LCKJAK3BTKTNK2TTK

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.