SCHEMBL13503283

SCHEMBL13503283

CN1CCN(c2cccc(-c3cnn4c(N)c(-c5ccc(N)cc5)cnc34)c2)CC1

nearest known ligand 0.85

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LCK P06239 17/20 0.85
KDR P35968 16/20 0.85
HCK P08631 14/20 0.85
SRC P12931 12/20 0.85
MEN1 O00255 2/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
KMT2A Q03164 2/20 0.54

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
SCHEMBL3587794 0.94 LCK (0.81) LCKKDRHCKSRCMEN1
SCHEMBL4177466 0.92 LCK (1.00) LCKKDRHCKSRC
SCHEMBL4178812 0.92 LCK (0.81) LCKKDRHCKSRC
SCHEMBL3592584 0.90 LCK (0.71) LCKKDRHCKSRCMEN1
SCHEMBL3588495 0.89 LCK (0.83) LCKKDRHCKSRCMEN1
SCHEMBL4168156 0.89 LCK (0.87) LCKKDRHCKSRC
SCHEMBL4170453 0.89 LCK (0.77) LCKKDRHCKSRCMEN1
SCHEMBL3589845 0.88 LCK (0.70) LCKKDRHCKSRC
SCHEMBL13503275 0.88 LCK (0.82) LCKKDRHCKSRC
SCHEMBL4175964 0.87 KDR (0.74) LCKKDRHCKSRCMEN1

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.