SCHEMBL4497614

SCHEMBL4497614

CC[C@@H](C)NC(=O)CCc1ccc(Oc2nc(Nc3ccc(N4CCN(C(C)C)CC4)cc3)ncc2C(=O)Nc2c(C)cc(C)cc2C)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LCK P06239 11/20 0.49
JAK3 P52333 2/20 0.49
BTK Q06187 1/20 0.49
TNK2 Q07912 1/20 0.49
NTRK1 P04629 1/20 0.41
LYN P07948 1/20 0.41
SRC P12931 4/20 0.39
KDR P35968 2/20 0.39
MAPK14 Q16539 2/20 0.39
FGFR1 P11362 2/20 0.39
BRD4 O60885 3/20 0.39
TEK Q02763 1/20 0.38
CDK4 P11802 2/20 0.37
CCND1 P24385 2/20 0.37
CCNE1 P24864 2/20 0.37
CDK2 P24941 2/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37

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
SCHEMBL4499597 0.95 LCK (0.55) LCKJAK3BTKTNK2NTRK1
SCHEMBL4500249 0.95 LCK (0.55) LCKJAK3BTKTNK2NTRK1
SCHEMBL4503833 0.90 LCK (0.56) LCKJAK3BTKTNK2SRC
SCHEMBL5686443 0.88 LCK (0.54) LCKJAK3BTKTNK2NTRK1
SCHEMBL4508707 0.86 LCK (0.60) LCKJAK3BTKTNK2NTRK1
SCHEMBL4500680 0.85 LCK (0.58) LCKJAK3BTKTNK2NTRK1
SCHEMBL4497735 0.84 LCK (0.58) LCKJAK3BTKTNK2NTRK1
SCHEMBL4496565 0.84 LCK (0.55) LCKJAK3BTKTNK2NTRK1
SCHEMBL4495035 0.83 LCK (0.56) LCKJAK3BTKTNK2SRC
SCHEMBL4487947 0.83 LCK (0.43) 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 3 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
US-20050209221-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-09-22 US 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 33/4885JAK3 900/4885BTK 1420/4885

“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.