SCHEMBL4499009

SCHEMBL4499009

Cc1cccc(C)c1NC(=O)c1cnc(Nc2ccc(N3CCN(CCCN(C)C)CC3)cc2)nc1Oc1ccc(Br)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LCK P06239 3/20 0.55
JAK3 P52333 3/20 0.55
TNK2 Q07912 2/20 0.55
BTK Q06187 1/20 0.55
SRC P12931 10/20 0.48
FGFR1 P11362 2/20 0.46
HCK P08631 1/20 0.46
MAP3K7 O43318 3/20 0.44
MAP2K1 Q02750 3/20 0.44
EGFR P00533 2/20 0.42
JAK2 O60674 1/20 0.42
BLK P51451 1/20 0.42
BMX P51813 1/20 0.42
MAPK1 P28482 1/20 0.41
FLT3 P36888 1/20 0.41
KDR P35968 1/20 0.41
TEK Q02763 1/20 0.41
MAPK14 Q16539 1/20 0.41

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
SCHEMBL4497523 0.96 LCK (0.56) LCKJAK3TNK2BTKSRC
SCHEMBL4496885 0.95 LCK (0.56) LCKJAK3TNK2BTKSRC
SCHEMBL4493646 0.92 LCK (0.57) LCKJAK3TNK2BTKSRC
SCHEMBL4483265 0.92 LCK (0.57) LCKJAK3TNK2BTKSRC
SCHEMBL4502602 0.91 LCK (0.53) LCKJAK3TNK2BTKSRC
SCHEMBL4490532 0.89 JAK3 (0.54) LCKJAK3TNK2BTKSRC
SCHEMBL4493993 0.89 LCK (0.60) LCKJAK3TNK2BTKSRC
SCHEMBL4485171 0.89 LCK (0.53) LCKJAK3TNK2BTKSRC
SCHEMBL4489980 0.88 LCK (0.54) LCKJAK3TNK2BTKSRC
SCHEMBL4484420 0.88 LCK (0.58) LCKJAK3TNK2BTKSRC

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 900/4885TNK2 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.