SCHEMBL13503273

SCHEMBL13503273

COc1ccc(-c2cnc3c(-c4cccc(N5CCN(C)CC5)c4)cnn3c2N)cc1N

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LCK P06239 18/20 0.73
KDR P35968 17/20 0.73
HCK P08631 15/20 0.73
SRC P12931 13/20 0.73
FYN P06241 1/20 0.59

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
SCHEMBL13503280 0.93 LCK (0.73) LCKKDRHCKSRCFYN
SCHEMBL4170364 0.88 LCK (0.74) LCKKDRHCKSRCFYN
SCHEMBL13503275 0.87 LCK (0.82) LCKKDRHCKSRC
SCHEMBL13503283 0.86 LCK (0.85) LCKKDRHCKSRC
SCHEMBL3587794 0.86 LCK (0.81) LCKKDRHCKSRC
SCHEMBL13503272 0.85 LCK (0.66) LCKKDRHCKSRCFYN
SCHEMBL4177466 0.85 LCK (1.00) LCKKDRHCKSRC
SCHEMBL13503285 0.84 LCK (0.70) LCKKDRHCKSRCFYN
SCHEMBL4170453 0.84 LCK (0.77) LCKKDRHCKSRC
SCHEMBL4168156 0.84 LCK (0.87) LCKKDRHCKSRC

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-20100029636-A1 Lck inhibitors NOVARTIS AG (CH) 2010-02-04 US disclosed
US-20100029636-A1 Lck inhibitors NOVARTIS AG (CH) 2010-02-04 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-20100029636-A1 Lck inhibitors LCK, ZAP70, FYN LCK 1/4885KDR 1630/4885HCK 42/4885

“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.