SCHEMBL4173636

SCHEMBL4173636

COc1cccc(-c2cnn3c(N)c(-c4cccc(OCc5ccccc5)c4)cnc23)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.57
RAB9A P51151 6/20 0.57
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
FYN P06241 1/20 0.54
PIM1 P11309 1/20 0.52
PIM2 Q9P1W9 1/20 0.52
MAOB P27338 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
KDR P35968 6/20 0.49
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 2/20 0.47
LCK P06239 3/20 0.46
HCK P08631 3/20 0.46
SRC P12931 3/20 0.46
NPSR1 Q6W5P4 1/20 0.45
PLAT P00750 1/20 0.44
KDM4E B2RXH2 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
SCHEMBL4175110 0.90 NPC1 (0.71) NPC1RAB9AKMT2AMEN1FYN
SCHEMBL4168118 0.90 FYN (0.53) NPC1RAB9AKMT2AMEN1FYN
SCHEMBL4168934 0.85 KDR (0.62) NPC1RAB9AKMT2AMEN1FYN
SCHEMBL4178665 0.83 LCK (0.71) NPC1RAB9AKMT2AMEN1KDR
SCHEMBL4170359 0.83 NPC1 (0.47) NPC1RAB9AKMT2AMEN1FYN
SCHEMBL4171274 0.82 FYN (0.57) NPC1RAB9AKMT2AMEN1FYN
SCHEMBL4177451 0.81 LCK (0.56) NPC1RAB9AKMT2AMEN1FYN
SCHEMBL4175240 0.81 LCK (0.56) NPC1RAB9AKMT2AMEN1FYN
SCHEMBL4165795 0.80 KDR (0.77) NPC1RAB9AKMT2AMEN1FYN
SCHEMBL4757135 0.80 KDR (0.68) KMT2APIM1PIM2MAOBKDR

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 NPC1 1374/4885RAB9A 849/4885KMT2A 3248/4885
US-20050222171-A1 Organic compounds JAK1, MAP3K5, MAP3K7 NPC1 1185/4885RAB9A 1730/4885KMT2A 1110/4885
US-20090099167-A1 Organic compounds JAK1, MAP3K5, MAP3K7 NPC1 1185/4885RAB9A 1730/4885KMT2A 1110/4885

“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.