SCHEMBL4499188

SCHEMBL4499188

CC[C@@H](C)NC(=O)CCc1ccc(Oc2nc(Nc3ccc(OCC4CCCN(C)C4)c(F)c3)ncc2C(=O)Nc2c(F)cc(F)cc2F)c(OC)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.36
HRH3 Q9Y5N1 5/20 0.35
SIK1 P57059 2/20 0.34
SIK2 Q9H0K1 2/20 0.34
SIK3 Q9Y2K2 2/20 0.34
LCK P06239 1/20 0.34
JAK3 P52333 1/20 0.34
BTK Q06187 1/20 0.34
TNK2 Q07912 1/20 0.34
PTK2 Q05397 5/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
KDR P35968 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CDK1 P06493 1/20 0.33
CDK2 P24941 1/20 0.33
IGF1R P08069 1/20 0.33

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
SCHEMBL4499837 0.93 LCK (0.42) EGFRHRH3SIK1SIK2SIK3
SCHEMBL4500415 0.89 SIK1 (0.43) EGFRHRH3SIK1SIK2SIK3
SCHEMBL4493132 0.88 KDR (0.41) LCKJAK3BTKTNK2KDR
SCHEMBL4500529 0.88 KDR (0.41) EGFRLCKJAK3BTKKDR
SCHEMBL5689051 0.87 KDR (0.37) EGFRLCKJAK3BTKTNK2
SCHEMBL4487056 0.86 SIK1 (0.39) EGFRSIK1SIK2SIK3LCK
SCHEMBL4499278 0.86 KDR (0.37) EGFRLCKJAK3BTKTNK2
SCHEMBL5686684 0.84 SIK1 (0.43) EGFRHRH3SIK1SIK2SIK3
SCHEMBL4498424 0.84 LCK (0.47) EGFRHRH3SIK1SIK2SIK3
SCHEMBL4492647 0.84 SIK1 (0.45) EGFRSIK1SIK2SIK3LCK

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 EGFR 2918/4885HRH3 321/4885SIK1 1588/4885

“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.