SCHEMBL4484056

SCHEMBL4484056

CCOc1ccccc1Oc1nc(Nc2cccc(S(=O)(=O)NCCN(C)C)c2)ncc1C(=O)Nc1c(C)cccc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.56
JAK3 P52333 1/20 0.56
BTK Q06187 1/20 0.56
TNK2 Q07912 1/20 0.56
SRC P12931 3/20 0.46
KIT P10721 1/20 0.41
RXFP1 Q9HBX9 3/20 0.40
MAPT P10636 1/20 0.38
CCNT1 O60563 2/20 0.38
CDK1 P06493 2/20 0.38
CCNB1 P14635 2/20 0.38
CCNA2 P20248 2/20 0.38
CDK2 P24941 2/20 0.38
CDK7 P50613 2/20 0.38
CDK9 P50750 2/20 0.38
CCNH P51946 2/20 0.38
BRD4 O60885 1/20 0.38
JAK1 P23458 1/20 0.38
HDAC1 Q13547 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL4480946 0.87 LCK (0.43) LCKJAK3BTKTNK2SRC
SCHEMBL4508576 0.86 LCK (0.58) LCKJAK3BTKTNK2SRC
SCHEMBL4484444 0.83 LCK (0.64) LCKJAK3BTKTNK2SRC
SCHEMBL5689113 0.79 CCNT1 (0.53) LCKJAK3BTKTNK2SRC
SCHEMBL4495500 0.79 LCK (0.57) LCKJAK3BTKTNK2MAPT
SCHEMBL4491666 0.78 BTK (0.65) LCKJAK3BTKTNK2ITK
SCHEMBL4493451 0.76 TNK2 (0.66) LCKJAK3BTKTNK2SRC
SCHEMBL4497470 0.76 LCK (0.76) LCKJAK3BTKTNK2SRC
SCHEMBL5994712 0.76 KIT (0.55) LCKBTKSRCKITCCNT1
SCHEMBL4501617 0.76 JAK3 (0.63) LCKJAK3BTKTNK2MAPT

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 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.