SCHEMBL3588495

SCHEMBL3588495

CN1CCN(c2ccc(-c3cnn4c(N)c(-c5ccc(N)cc5)cnc34)cc2)CC1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 16/20 0.83
HCK P08631 15/20 0.83
KDR P35968 14/20 0.83
SRC P12931 13/20 0.83
ABL1 P00519 1/20 0.62
RET P07949 1/20 0.62
KIT P10721 1/20 0.62
PDGFRA P16234 1/20 0.62
TEK Q02763 1/20 0.62
KMT2A Q03164 2/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
MEN1 O00255 1/20 0.54
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
ADRA2C P18825 1/20 0.52
GFER P55789 1/20 0.52
PTK2B Q14289 1/20 0.52

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
SCHEMBL3592584 0.92 LCK (0.71) LCKHCKKDRSRCABL1
SCHEMBL4185161 0.92 LCK (0.81) LCKHCKKDRSRCABL1
SCHEMBL4171013 0.91 LCK (1.00) LCKHCKKDRSRCABL1
SCHEMBL4185025 0.91 LCK (0.80) LCKHCKKDRSRCABL1
SCHEMBL4173531 0.91 LCK (0.80) LCKHCKKDRSRCABL1
SCHEMBL3594309 0.90 LCK (0.68) LCKHCKKDRSRCABL1
SCHEMBL13503283 0.89 LCK (0.85) LCKHCKKDRSRCKMT2A
SCHEMBL4178812 0.89 LCK (0.81) LCKHCKKDRSRCABL1
SCHEMBL4169231 0.89 LCK (0.77) LCKHCKKDRSRCABL1
SCHEMBL3593859 0.88 LCK (0.69) 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 4 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
WO-2008037459-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AND THEIR THERAPEUTIC USE NOVARTIS AG (CH) 2008-04-03 WO disclosed
CN-1909908-A Pyrazolo [1, 5-a ] pyrimidin-7-yl-amine derivatives for the treatment of protein kinase dependent diseases NOVARTIS AG (CH) 2007-02-07 CN 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.