SCHEMBL4487947

SCHEMBL4487947

CC[C@@H](C)NC(=O)CCc1ccc(Oc2nc(Nc3ccc(OCCN4CCN(C(C)C)CC4)c(F)c3)ncc2C(=O)Nc2c(C)cccc2C)c(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LCK P06239 6/20 0.43
BTK Q06187 5/20 0.43
TNK2 Q07912 4/20 0.43
JAK3 P52333 2/20 0.43
KDR P35968 5/20 0.39
SRC P12931 4/20 0.39
MAPK14 Q16539 2/20 0.39
SIK1 P57059 2/20 0.37
SIK2 Q9H0K1 2/20 0.37
SIK3 Q9Y2K2 2/20 0.37
MET P08581 6/20 0.36

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
SCHEMBL4499278 0.93 KDR (0.37) LCKBTKTNK2JAK3KDR
SCHEMBL4491816 0.93 LCK (0.47) LCKBTKTNK2JAK3KDR
SCHEMBL4497229 0.92 LCK (0.46) LCKBTKTNK2JAK3KDR
SCHEMBL4484504 0.92 TNK2 (0.47) LCKBTKTNK2JAK3KDR
SCHEMBL4499611 0.91 LCK (0.45) LCKBTKTNK2JAK3KDR
SCHEMBL5689051 0.89 KDR (0.37) LCKBTKTNK2JAK3KDR
SCHEMBL4487079 0.88 BTK (0.42) LCKBTKTNK2JAK3KDR
SCHEMBL4496292 0.88 KDR (0.43) LCKBTKTNK2JAK3KDR
SCHEMBL4505329 0.88 LCK (0.51) LCKBTKTNK2JAK3KDR
SCHEMBL4501597 0.88 LCK (0.46) LCKBTKTNK2JAK3KDR

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 33/4885BTK 1420/4885TNK2 1854/4885

“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.