SCHEMBL4175454

SCHEMBL4175454

COc1cccc(-c2cnc3c(-c4ccc(N5CCN(C)CC5)cc4)cnn3c2N)c1

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LCK P06239 16/20 0.76
KDR P35968 16/20 0.76
HCK P08631 14/20 0.76
SRC P12931 12/20 0.76
ABL1 P00519 1/20 0.56
RET P07949 1/20 0.56
KIT P10721 1/20 0.56
PDGFRA P16234 1/20 0.56
TEK Q02763 1/20 0.56
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
KMT2A Q03164 1/20 0.54
FYN P06241 1/20 0.53

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
SCHEMBL4170364 0.93 LCK (0.74) LCKKDRHCKSRCNPC1
SCHEMBL4168459 0.91 LCK (0.72) LCKKDRHCKSRCABL1
SCHEMBL4169231 0.90 LCK (0.77) LCKKDRHCKSRCABL1
SCHEMBL4178812 0.88 LCK (0.81) LCKKDRHCKSRCABL1
SCHEMBL4178665 0.87 LCK (0.71) LCKKDRHCKSRCABL1
SCHEMBL4185161 0.87 LCK (0.81) LCKKDRHCKSRCABL1
SCHEMBL4175257 0.86 LCK (0.79) LCKKDRHCKSRCABL1
SCHEMBL4176121 0.86 LCK (1.00) LCKKDRHCKSRCABL1
SCHEMBL13503285 0.85 LCK (0.70) LCKKDRHCKSRCABL1
SCHEMBL4175110 0.84 NPC1 (0.71) LCKKDRHCKSRCNPC1

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 9 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
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 524/4885KDR 780/4885HCK 718/4885
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.