SCHEMBL4171740

SCHEMBL4171740

CN1CCN(c2cccc(-c3cnn4c(N)c(-c5cccc([N+](=O)[O-])c5)cnc34)c2)CC1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LCK P06239 17/20 0.70
HCK P08631 15/20 0.70
KDR P35968 14/20 0.70
SRC P12931 12/20 0.70
MET P08581 1/20 0.55
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
GFER P55789 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL4177558 0.94 LCK (0.72) LCKHCKKDRSRCMET
SCHEMBL3581769 0.90 LCK (0.63) LCKHCKKDRSRCMET
SCHEMBL3587794 0.86 LCK (0.81) LCKHCKKDRSRCMEN1
SCHEMBL13503272 0.85 LCK (0.66) LCKHCKKDRSRC
SCHEMBL3591523 0.85 LCK (0.63) LCKHCKKDRSRC
SCHEMBL13503283 0.84 LCK (0.85) LCKHCKKDRSRCMEN1
SCHEMBL3599410 0.84 LCK (0.72) LCKHCKKDRSRC
SCHEMBL4168156 0.84 LCK (0.87) LCKHCKKDRSRC
SCHEMBL4170453 0.84 LCK (0.77) LCKHCKKDRSRCMEN1
SCHEMBL4177466 0.83 LCK (1.00) LCKHCKKDRSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099167-A1 Organic compounds NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH 2009-04-16 US disclosed
US-20090069315-A1 Use of Pyrazolo(1,5A)Pyrimidin-7-YL Amine Derivatives in the Treatment of Neurological Disorders SIVASANKARAN RAJEEV 2009-03-12 US disclosed
EP-1708710-A1 PYRAZOLO[1,5-A]PYRIMIDIN-7-YL-AMINE DERIVATIVES FOR USE IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES Novartis AG (CH) 2006-10-11 EP disclosed
US-20050222171-A1 Organic compounds NOVARTIS AG (CH) 2005-10-06 US disclosed
WO-2005070431-A1 PYRAZOLO[1,5-A]PYRIMIDIN-7-YL-AMINE DERIVATIVES FOR USE IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES NOVARTIS AG (CH) 2005-08-04 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 (3 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-20090069315-A1 Use of Pyrazolo(1,5A)Pyrimidin-7-YL Amine Derivatives in the Treatment of Neurological Disorders EPHA5, EPHA7, EPHA1 LCK 524/4885HCK 718/4885KDR 780/4885
US-20050222171-A1 Organic compounds JAK1, MAP3K5, MAP3K7 LCK 30/4885HCK 68/4885KDR 1240/4885
US-20090099167-A1 Organic compounds JAK1, MAP3K5, MAP3K7 LCK 30/4885HCK 68/4885KDR 1240/4885

“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.