SCHEMBL3590786

SCHEMBL3590786

CC(C)COC(=O)Nc1ccc(-c2cnc3c(-c4ccc(N5CCNCC5)cc4)cnn3c2N)cc1

nearest known ligand 0.85

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LCK P06239 20/20 0.85
HCK P08631 17/20 0.85
KDR P35968 15/20 0.85
SRC P12931 15/20 0.85
ABL1 P00519 1/20 0.83
RET P07949 1/20 0.83
KIT P10721 1/20 0.83
PDGFRA P16234 1/20 0.83
TEK Q02763 1/20 0.83

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
SCHEMBL3587520 0.92 LCK (1.00) LCKHCKKDRSRCABL1
SCHEMBL3590297 0.91 LCK (1.00) LCKHCKKDRSRCABL1
SCHEMBL3593572 0.87 LCK (0.81) LCKHCKKDRSRCABL1
SCHEMBL3593575 0.87 LCK (0.81) LCKHCKKDRSRCABL1
SCHEMBL3584635 0.87 LCK (1.00) LCKHCKKDRSRCABL1
SCHEMBL3588491 0.85 LCK (0.85) LCKHCKKDRSRCABL1
SCHEMBL3580655 0.85 LCK (0.77) LCKHCKKDRSRCABL1
SCHEMBL4179820 0.81 LCK (0.83) LCKHCKKDRSRCABL1
SCHEMBL3590025 0.81 LCK (0.71) LCKHCKKDRSRCABL1
SCHEMBL3590020 0.81 LCK (0.71) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029636-A1 Lck inhibitors NOVARTIS AG (CH) 2010-02-04 US disclosed
EP-2074127-A1 PYRAZOLO [1, 5-A]PYRIMIDINE DERIVATIVES AND THEIR THERAPEUTIC USE Novartis AG (CH) 2009-07-01 EP disclosed
WO-2008037459-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AND THEIR THERAPEUTIC USE NOVARTIS AG (CH) 2008-04-03 WO 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.