SCHEMBL4499161

SCHEMBL4499161

CC[C@@H](C)NC(=O)CCc1ccc(Oc2nc(Nc3ccc(C(=O)N(C)CCN(CC)CC)cc3)ncc2C(=O)Nc2c(C)cc(C)cc2C)c(OC)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.39
LCK P06239 2/20 0.37
JAK3 P52333 1/20 0.37
BTK Q06187 1/20 0.37
TNK2 Q07912 1/20 0.37
HDAC1 Q13547 8/20 0.37
HDAC2 Q92769 8/20 0.37
KMT2A Q03164 2/20 0.35
IGF1R P08069 2/20 0.35
HDAC6 Q9UBN7 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL4496223 0.95 LCK (0.42) LCKJAK3BTKTNK2HDAC1
SCHEMBL4507342 0.91 HDAC1 (0.36) LCKJAK3BTKTNK2HDAC1
SCHEMBL4496017 0.90 LCK (0.43) LCKJAK3BTKTNK2HDAC1
SCHEMBL5686161 0.85 LCK (0.43) LCKJAK3BTKTNK2HDAC1
SCHEMBL4486856 0.85 LCK (0.46) LCKJAK3BTKTNK2HDAC1
SCHEMBL4495479 0.85 LCK (0.43) LCKJAK3BTKTNK2HDAC1
SCHEMBL4495907 0.85 LCK (0.47) LCKJAK3BTKTNK2KMT2A
SCHEMBL4484530 0.83 LCK (0.43) LCKJAK3BTKTNK2HDAC1
SCHEMBL4502146 0.82 LCK (0.47) LCKJAK3BTKTNK2MAPT
SCHEMBL4484632 0.82 LCK (0.44) LCKJAK3BTKTNK2KMT2A

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 CYP3A4 801/4885LCK 33/4885JAK3 900/4885

“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.