SCHEMBL4499290

SCHEMBL4499290

COc1cc(Nc2ncc(C(=O)Nc3c(Cl)cccc3Cl)c(Oc3ccccc3F)n2)ccc1N1CCN(C)CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 9/20 0.56
EGFR P00533 2/20 0.53
ALK Q9UM73 1/20 0.53
SIK1 P57059 2/20 0.52
SIK2 Q9H0K1 2/20 0.52
SIK3 Q9Y2K2 2/20 0.52
WEE1 P30291 1/20 0.52
KCNH2 Q12809 1/20 0.52
SRC P12931 2/20 0.52
PKMYT1 Q99640 1/20 0.51
TNIK Q9UKE5 1/20 0.48
BRD4 O60885 1/20 0.48
TNK2 Q07912 1/20 0.47
FGFR3 P22607 1/20 0.47
FGFR1 P11362 1/20 0.47

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
SCHEMBL4493902 0.94 PAK1 (0.59) PAK1EGFRALKWEE1KCNH2
SCHEMBL4491248 0.92 SIK1 (0.56) PAK1EGFRALKSIK1SIK2
SCHEMBL4487403 0.92 SIK1 (0.60) PAK1EGFRALKSIK1SIK2
SCHEMBL4489352 0.89 PAK1 (0.55) PAK1EGFRALKWEE1KCNH2
SCHEMBL4496375 0.89 SRC (0.57) PAK1EGFRALKSIK1SIK2
SCHEMBL31454788 0.88 PAK1 (0.60) PAK1EGFRALKWEE1KCNH2
SCHEMBL4488398 0.88 TNK2 (0.59) EGFRSRCBRD4TNK2FGFR1
SCHEMBL4495272 0.87 CSF1R (0.53) EGFRALKSRC
SCHEMBL4494869 0.86 SIK1 (0.58) PAK1EGFRSIK1SIK2SIK3
SCHEMBL4506989 0.86 LCK (0.58) PAK1EGFRALKSIK1SIK2

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 PAK1 403/4885EGFR 2918/4885ALK 4437/4885

“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.