SCHEMBL4175964

SCHEMBL4175964

CN1CCN(c2cccc(-c3cnn4c(N)c(-c5ccsc5)cnc34)c2)CC1

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 16/20 0.74
LCK P06239 14/20 0.74
HCK P08631 12/20 0.74
SRC P12931 11/20 0.74
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 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
SCHEMBL3587794 0.89 LCK (0.81) KDRLCKHCKSRCNPC1
SCHEMBL4789576 0.88 KDR (0.58) KDRLCKHCKSRCNPC1
SCHEMBL4179831 0.88 LCK (0.75) KDRLCKHCKSRCNPC1
SCHEMBL13503283 0.87 LCK (0.85) KDRLCKHCKSRCNPC1
SCHEMBL4170453 0.86 LCK (0.77) KDRLCKHCKSRCNPC1
SCHEMBL4168156 0.86 LCK (0.87) KDRLCKHCKSRC
SCHEMBL4177466 0.85 LCK (1.00) KDRLCKHCKSRC
SCHEMBL4170364 0.84 LCK (0.74) KDRLCKHCKSRCNPC1
SCHEMBL13503275 0.83 LCK (0.82) KDRLCKHCKSRC
SCHEMBL4171074 0.83 KDR (0.58) KDRLCKHCKSRCNPC1

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 10 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 claimed
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 claimed
US-20050222171-A1 Organic compounds NOVARTIS AG (CH) 2005-10-06 US claimed
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 claimed
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
WO-2007103432-A9 USE OF PYRAZOLO[1,5A]PYRIMIDIN-7-YL AMINE DERIVATIVES IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2008-01-10 WO 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 KDR 780/4885LCK 524/4885HCK 718/4885
US-20050222171-A1 Organic compounds JAK1, MAP3K5, MAP3K7 KDR 1240/4885LCK 30/4885HCK 68/4885
US-20090099167-A1 Organic compounds JAK1, MAP3K5, MAP3K7 KDR 1240/4885LCK 30/4885HCK 68/4885

“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.