SCHEMBL4166198

SCHEMBL4166198

COc1cc(-c2cnn3c(N)c(-c4ccc(F)c(F)c4)c(C)nc23)cc(OC)c1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.59
KMT2A Q03164 6/20 0.59
RAB9A P51151 6/20 0.59
NPC1 O15118 6/20 0.59
RXFP1 Q9HBX9 1/20 0.59
CASP3 P42574 2/20 0.53
SENP8 Q96LD8 2/20 0.53
SENP7 Q9BQF6 2/20 0.53
SENP6 Q9GZR1 2/20 0.53
BLM P54132 1/20 0.53
NCOA1 Q15788 1/20 0.53
NCOA3 Q9Y6Q9 1/20 0.53
MAPT P10636 3/20 0.43
PAX8 Q06710 1/20 0.43
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RET P07949 6/20 0.42
KIF5B P33176 6/20 0.42
KDR P35968 5/20 0.42
ETV6 P41212 5/20 0.42

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
SCHEMBL4166019 0.91 NPC1 (0.60) MEN1KMT2ARAB9ANPC1RXFP1
SCHEMBL4178858 0.85 FYN (0.57) MEN1KMT2ARAB9ANPC1RXFP1
SCHEMBL4171882 0.82 KMT2A (0.59) MEN1KMT2ARAB9ANPC1RXFP1
SCHEMBL4163202 0.78 KMT2A (0.74) MEN1KMT2ARAB9ANPC1RXFP1
SCHEMBL4179850 0.77 FYN (0.71) MEN1KMT2ARAB9ANPC1RXFP1
SCHEMBL4175421 0.74 KMT2A (1.00) MEN1KMT2ARAB9ANPC1RXFP1
SCHEMBL4757041 0.73 FYN (0.53) MEN1KMT2ARAB9ANPC1RXFP1
SCHEMBL4177672 0.73 LCK (0.61) MEN1KMT2ARAB9ANPC1RXFP1
SCHEMBL4178628 0.72 KMT2A (0.69) MEN1KMT2ARAB9ANPC1RXFP1
SCHEMBL4173646 0.72 NPC1 (0.79) MEN1KMT2ARAB9ANPC1RXFP1

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 12 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-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 (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 MEN1 4377/4885KMT2A 3248/4885RAB9A 849/4885
US-20050222171-A1 Organic compounds JAK1, MAP3K5, MAP3K7 MEN1 1174/4885KMT2A 1110/4885RAB9A 1730/4885
US-20090099167-A1 Organic compounds JAK1, MAP3K5, MAP3K7 MEN1 1174/4885KMT2A 1110/4885RAB9A 1730/4885

“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.