SCHEMBL4501617

SCHEMBL4501617

CCOc1ccccc1Oc1nc(Nc2ccc3ncsc3c2)ncc1C(=O)Nc1c(C)cccc1C

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 2/20 0.63
BTK Q06187 2/20 0.63
LCK P06239 1/20 0.63
TNK2 Q07912 1/20 0.63
SYK P43405 3/20 0.41
MAPT P10636 2/20 0.41
IRAK4 Q9NWZ3 3/20 0.40
IKBKB O14920 2/20 0.40
CHUK O15111 1/20 0.40
GCK P35557 1/20 0.40
ITK Q08881 1/20 0.40
ULK1 O75385 1/20 0.40

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
SCHEMBL4498945 0.86 JAK3 (0.47) JAK3BTKLCKTNK2SYK
SCHEMBL4491666 0.81 BTK (0.65) JAK3BTKLCKTNK2ITK
SCHEMBL5689559 0.79 LCK (0.60) JAK3BTKLCKTNK2MAPT
SCHEMBL4493451 0.78 TNK2 (0.66) JAK3BTKLCKTNK2MAPT
SCHEMBL4497579 0.78 JAK3 (0.67) JAK3BTKLCKTNK2
SCHEMBL4491849 0.78 LCK (0.59) JAK3BTKLCKTNK2MAPT
SCHEMBL4504109 0.78 LCK (0.84) JAK3BTKLCKTNK2
SCHEMBL4508576 0.78 LCK (0.58) JAK3BTKLCKTNK2MAPT
SCHEMBL4487640 0.77 LCK (0.66) JAK3BTKLCKTNK2
SCHEMBL4490125 0.77 JAK3 (0.66) JAK3BTKLCKTNK2

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 JAK3 900/4885BTK 1420/4885LCK 33/4885

“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.