SCHEMBL13503285

SCHEMBL13503285

COc1cc(-c2cnc3c(-c4ccc(N5CCN(C)CC5)cc4)cnn3c2N)ccc1N

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LCK P06239 16/20 0.70
HCK P08631 14/20 0.70
KDR P35968 13/20 0.70
SRC P12931 12/20 0.70
ABL1 P00519 1/20 0.56
RET P07949 1/20 0.56
KIT P10721 1/20 0.56
PDGFRA P16234 1/20 0.56
TEK Q02763 1/20 0.56
FYN P06241 3/20 0.54
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50

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 0.92 LCK (0.73) LCKHCKKDRSRCFYN
SCHEMBL4169231 0.87 LCK (0.77) LCKHCKKDRSRCABL1
SCHEMBL13503282 0.86 LCK (0.62) LCKHCKKDRSRCABL1
SCHEMBL4168459 0.86 LCK (0.72) LCKHCKKDRSRCABL1
SCHEMBL4175454 0.85 LCK (0.76) LCKHCKKDRSRCABL1
SCHEMBL4171677 0.85 LCK (0.68) LCKHCKKDRSRCABL1
SCHEMBL3588495 0.84 LCK (0.83) LCKHCKKDRSRCABL1
SCHEMBL13503273 0.84 LCK (0.73) LCKHCKKDRSRCFYN
SCHEMBL4185161 0.83 LCK (0.81) LCKHCKKDRSRCABL1
SCHEMBL4178812 0.83 LCK (0.81) LCKHCKKDRSRCABL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885HCK 42/4885KDR 1630/4885

“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.