SCHEMBL3581769

SCHEMBL3581769

Cc1cc([N+](=O)[O-])ccc1-c1cnc2c(-c3cccc(N4CCN(C)CC4)c3)cnn2c1N

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LCK P06239 16/20 0.63
KDR P35968 15/20 0.63
HCK P08631 13/20 0.63
SRC P12931 12/20 0.63
MET P08581 1/20 0.47

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
SCHEMBL3594503 0.91 LCK (0.61) LCKKDRHCKSRC
SCHEMBL4171740 0.90 LCK (0.70) LCKKDRHCKSRCMET
SCHEMBL3589845 0.87 LCK (0.70) LCKKDRHCKSRC
SCHEMBL4177558 0.84 LCK (0.72) LCKKDRHCKSRCMET
SCHEMBL3591523 0.81 LCK (0.63) LCKKDRHCKSRC
SCHEMBL3587794 0.81 LCK (0.81) LCKKDRHCKSRC
SCHEMBL3594060 0.80 LCK (0.63) LCKKDRHCKSRCMET
SCHEMBL13503272 0.80 LCK (0.66) LCKKDRHCKSRC
SCHEMBL3599410 0.80 LCK (0.72) LCKKDRHCKSRC
Hydrochloric Acid SCHEMBL3588688 0.80 LCK (0.62) LCKKDRHCKSRCMET

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 1/4885KDR 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.