SCHEMBL4171074

SCHEMBL4171074

COc1ccc(N2CCN(C)CC2)cc1-c1cnn2c(N)c(-c3ccsc3)cnc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.58
LCK P06239 11/20 0.55
HCK P08631 9/20 0.55
SRC P12931 8/20 0.55
ABL1 P00519 1/20 0.46
RET P07949 1/20 0.46
KIT P10721 1/20 0.46
PDGFRA P16234 1/20 0.46
TEK Q02763 1/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
FYN P06241 3/20 0.45
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL4181996 0.86 LCK (0.75) KDRLCKHCKSRCABL1
SCHEMBL4179831 0.85 LCK (0.75) KDRLCKHCKSRCABL1
SCHEMBL4183618 0.84 LCK (0.75) KDRLCKHCKSRCABL1
SCHEMBL4185042 0.84 LCK (0.47) KDRLCKHCKSRCABL1
SCHEMBL4175964 0.83 KDR (0.74) KDRLCKHCKSRCNPC1
SCHEMBL4175044 0.82 LCK (0.55) KDRLCKHCKSRCABL1
SCHEMBL4182019 0.81 LCK (0.56) KDRLCKHCKSRCABL1
SCHEMBL4177451 0.79 LCK (0.56) KDRLCKHCKSRCABL1
SCHEMBL4176162 0.78 LCK (0.49) KDRLCKHCKSRCABL1
SCHEMBL13503285 0.77 LCK (0.70) KDRLCKHCKSRCABL1

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.