SCHEMBL4182019

SCHEMBL4182019

COc1ccc(N2CCN(C)CC2)cc1-c1cnn2c(N)c(-c3ccc(OCc4ccccc4)cc3)cnc12

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LCK P06239 15/20 0.56
KDR P35968 14/20 0.56
HCK P08631 13/20 0.56
SRC P12931 11/20 0.56
ABL1 P00519 1/20 0.47
RET P07949 1/20 0.47
KIT P10721 1/20 0.47
PDGFRA P16234 1/20 0.47
TEK Q02763 1/20 0.47
ALK Q9UM73 1/20 0.45
MAP4K1 Q92918 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
FYN P06241 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
SCHEMBL4177451 0.92 LCK (0.56) LCKKDRHCKSRCABL1
SCHEMBL4177683 0.89 LCK (0.70) LCKKDRHCKSRCABL1
SCHEMBL4176162 0.89 LCK (0.49) LCKKDRHCKSRCABL1
SCHEMBL4175200 0.87 LCK (0.74) LCKKDRHCKSRCNPC1
SCHEMBL4181996 0.86 LCK (0.75) LCKKDRHCKSRCABL1
SCHEMBL4175240 0.86 LCK (0.56) LCKKDRHCKSRCABL1
SCHEMBL4178665 0.83 LCK (0.71) LCKKDRHCKSRCABL1
SCHEMBL4183618 0.82 LCK (0.75) LCKKDRHCKSRCABL1
SCHEMBL3584686 0.81 LCK (0.60) LCKKDRHCKSRCABL1
SCHEMBL4175044 0.81 LCK (0.55) LCKKDRHCKSRCABL1

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 7 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
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
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 (2 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-20050222171-A1 Organic compounds JAK1, MAP3K5, MAP3K7 LCK 30/4885KDR 1240/4885HCK 68/4885
US-20090099167-A1 Organic compounds JAK1, MAP3K5, MAP3K7 LCK 30/4885KDR 1240/4885HCK 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.