SCHEMBL4494570

SCHEMBL4494570

Cc1cccc(C)c1NC(=O)c1cnc(Nc2ccc(N3CCN(C(C)C)CC3)cc2)nc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LCK P06239 7/20 0.51
MAPK14 Q16539 6/20 0.51
KDR P35968 4/20 0.51
JAK3 P52333 2/20 0.48
BTK Q06187 1/20 0.48
TNK2 Q07912 1/20 0.48
SRC P12931 2/20 0.47
TEK Q02763 2/20 0.47
ABL1 P00519 1/20 0.47
FYN P06241 1/20 0.47
CSF1R P07333 1/20 0.47
LYN P07948 1/20 0.47
MAPK9 P45984 1/20 0.47
BRD4 O60885 1/20 0.47
WEE1 P30291 1/20 0.47
KCNH2 Q12809 1/20 0.47
MT-CO2 P00403 1/20 0.46

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
SCHEMBL4489918 0.89 LCK (0.63) LCKMAPK14KDRJAK3SRC
SCHEMBL5689693 0.86 SRC (0.46) SRC
SCHEMBL4497762 0.83 LCK (0.60) LCKMAPK14KDRJAK3BTK
SCHEMBL4493726 0.82 LCK (0.49) LCKMAPK14KDRJAK3BTK
SCHEMBL5686313 0.81 LCK (0.61) LCKMAPK14KDRJAK3BTK
SCHEMBL4496728 0.81 JAK3 (0.64) LCKMAPK14KDRJAK3BTK
SCHEMBL5686069 0.81 SYK (0.53) JAK3WEE1KCNH2
SCHEMBL4504472 0.81 LCK (0.48) LCKMAPK14KDRJAK3BTK
SCHEMBL4495705 0.80 LCK (0.68) LCKMAPK14KDRJAK3BTK
SCHEMBL4498657 0.80 JAK3 (0.62) LCKJAK3BTKTNK2SRC

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 33/4885MAPK14 3248/4885KDR 3785/4885

“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.