SCHEMBL4171702

SCHEMBL4171702

COc1ccccc1-c1cnn2c(N)c(-c3cccc(O)c3)cnc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 5/20 0.59
KDR P35968 7/20 0.57
LCK P06239 4/20 0.57
HCK P08631 3/20 0.57
SRC P12931 3/20 0.57
NPC1 O15118 7/20 0.53
RAB9A P51151 7/20 0.53
KMT2A Q03164 5/20 0.53
MEN1 O00255 3/20 0.53
RXFP1 Q9HBX9 1/20 0.47
BMPR1A P36894 1/20 0.46
TGFBR1 P36897 1/20 0.46
ACVRL1 P37023 1/20 0.46
ACVR1 Q04771 1/20 0.46
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
NFKB1 P19838 1/20 0.41
STAT1 P42224 1/20 0.41

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
SCHEMBL4168934 0.84 KDR (0.62) FYNKDRLCKHCKSRC
SCHEMBL4168118 0.84 FYN (0.53) FYNKDRLCKHCKSRC
SCHEMBL4168960 0.82 LCK (0.75) FYNKDRLCKHCKSRC
SCHEMBL4183618 0.82 LCK (0.75) FYNKDRLCKHCKSRC
SCHEMBL4168271 0.78 KDR (0.62) FYNKDRLCKHCKSRC
SCHEMBL4168255 0.78 KDR (0.57) FYNKDRLCKHCKSRC
SCHEMBL4175110 0.76 NPC1 (0.71) FYNKDRLCKHCKSRC
SCHEMBL18613401 0.74 FYN (1.00) FYNKDRLCKHCKSRC
SCHEMBL30521695 0.74 FYN (1.00) FYNKDRLCKHCKSRC
SCHEMBL1029074 0.74 HTR7 (0.55) FYN

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 11 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-1993552-A2 USE OF PYRAZOLO[1,5A]PYRIMIDIN-7-YL AMINE DERIVATIVES IN THE TREATMENT OF NEUROLOGICAL DISORDERS Novartis AG (CH) 2008-11-26 EP 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
WO-2007103432-A2 USE OF PYRAZOLO[1,5A]PYRIMIDIN-7-YL AMINE DERIVATIVES IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2007-09-13 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 (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 FYN 217/4885KDR 1240/4885LCK 30/4885
US-20090099167-A1 Organic compounds JAK1, MAP3K5, MAP3K7 FYN 217/4885KDR 1240/4885LCK 30/4885

“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.