SCHEMBL6457910

SCHEMBL6457910

COc1ccccc1CNc1ccc(-c2nn([C@H]3CC[C@@H](N4CCN(C)CC4)CC3)c3ncnc(N)c23)cc1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LCK P06239 17/20 0.70
SRC P12931 17/20 0.70
TEK Q02763 17/20 0.70
KDR P35968 6/20 0.70
BTK Q06187 1/20 0.65
EGFR P00533 3/20 0.60
ERBB2 P04626 3/20 0.60
IGF1R P08069 3/20 0.60
ERBB3 P21860 1/20 0.60
ERBB4 Q15303 1/20 0.60
LIMK1 P53667 1/20 0.60
LIMK2 P53671 1/20 0.60
FYN P06241 1/20 0.57

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
SCHEMBL6457906 1.00 LCK (0.70) LCKSRCTEKKDRBTK
SCHEMBL6431496 0.93 LCK (0.69) LCKSRCTEKKDRBTK
SCHEMBL6431491 0.93 LCK (0.69) LCKSRCTEKKDRBTK
SCHEMBL6433886 0.92 LCK (0.67) LCKSRCTEKKDRBTK
SCHEMBL6433547 0.91 LCK (0.68) LCKSRCTEKKDRBTK
SCHEMBL6430184 0.91 LCK (0.68) LCKSRCTEKKDRBTK
SCHEMBL6430182 0.91 LCK (0.68) LCKSRCTEKKDRBTK
SCHEMBL6434060 0.91 LCK (0.66) LCKSRCTEKKDRBTK
SCHEMBL6431526 0.91 LCK (0.66) LCKSRCTEKKDRBTK
SCHEMBL6434057 0.91 LCK (0.66) LCKSRCTEKKDRBTK

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 2 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
EP-1212327-B1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AG (DE) 2003-08-20 EP 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-20050008640-A1 Method of treating transplant rejection LCK, ZAP70, FYN LCK 1/4885SRC 46/4885TEK 1465/4885

“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.