SCHEMBL6458929

SCHEMBL6458929

CN1CCN(C2CCC(n3cc(-c4ccc(CNC(=O)O)cc4)c4c(N)ncnc43)CC2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCK P08631 6/20 0.67
SRC P12931 6/20 0.67
ABL1 P00519 4/20 0.67
EGFR P00533 4/20 0.67
TEK Q02763 3/20 0.67
LCK P06239 2/20 0.67
RET P07949 2/20 0.67
KDR P35968 2/20 0.67
FLT3 P36888 2/20 0.67
PLK4 O00444 1/20 0.67
DCLK1 O15075 1/20 0.67
PDPK1 O15530 1/20 0.67
PRKD3 O94806 1/20 0.67
MAP4K4 O95819 1/20 0.67
PAK4 O96013 1/20 0.67
CHEK2 O96017 1/20 0.67
ERBB2 P04626 1/20 0.67
NTRK1 P04629 1/20 0.67
INSR P06213 1/20 0.67
FYN P06241 1/20 0.67

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
SCHEMBL6460275 0.92 HCK (0.66) HCKSRCABL1EGFRTEK
SCHEMBL6458140 0.92 HCK (0.66) HCKSRCABL1EGFRTEK
SCHEMBL6458138 0.92 HCK (0.66) HCKSRCABL1EGFRTEK
SCHEMBL6465498 0.89 SRC (0.73) HCKSRCABL1EGFRTEK
SCHEMBL6465500 0.89 SRC (0.73) HCKSRCABL1EGFRTEK
SCHEMBL23847497 0.88 SRC (0.66) HCKSRCABL1EGFRTEK
SCHEMBL16752234 0.88 SRC (0.69) HCKSRCABL1EGFRTEK
SCHEMBL16752236 0.88 SRC (0.69) HCKSRCABL1EGFRTEK
SCHEMBL6461084 0.86 SRC (0.72) HCKSRCABL1EGFRTEK
SCHEMBL6460944 0.86 SRC (0.72) HCKSRCABL1EGFRTEK

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-20050008640-A1 Method of treating transplant rejection ABBOTT LABORATORIES 2005-01-13 US disclosed
US-6713474-B2 SERINE-THREONINE AND TYROSINE KINASE INHIBITORS ABBOTT GMBH & CO. KG (DE) 2004-03-30 US disclosed
US-20030153752-A1 Pyrrolopyrimidines as therapeutic agents ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2003-08-14 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 (2 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-20050008640-A1 Method of treating transplant rejection LCK, ZAP70, FYN HCK 107/4885SRC 46/4885ABL1 122/4885
US-20030153752-A1 Pyrrolopyrimidines as therapeutic agents FLT1, FLT4, TFPI HCK 968/4885SRC 206/4885ABL1 78/4885

“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.