SCHEMBL4182517

SCHEMBL4182517

CCN(CC)C1CCN(c2cccc(-c3cnn4c(N)c(-c5cccc(Cl)c5)c(C)nc34)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 8/20 0.49
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
NPC1 O15118 5/20 0.46
CASP3 P42574 2/20 0.46
SENP8 Q96LD8 2/20 0.46
SENP7 Q9BQF6 2/20 0.46
SENP6 Q9GZR1 2/20 0.46
RAB9A P51151 5/20 0.44
BLM P54132 1/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
HCK P08631 6/20 0.41
SRC P12931 6/20 0.41
KDR P35968 6/20 0.41
FYN P06241 1/20 0.39
PIM1 P11309 2/20 0.39
PIM2 Q9P1W9 1/20 0.39
CYBB P04839 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL4171959 0.91 MEN1 (0.48) LCKMEN1KMT2ANPC1CASP3
SCHEMBL4172792 0.91 MEN1 (0.43) LCKMEN1KMT2ANPC1CASP3
SCHEMBL4187192 0.90 MEN1 (0.43) LCKMEN1KMT2ANPC1CASP3
SCHEMBL4173016 0.90 LCK (0.40) LCKMEN1KMT2ANPC1RAB9A
SCHEMBL4182857 0.89 MEN1 (0.58) LCKMEN1KMT2ANPC1CASP3
SCHEMBL4177026 0.89 FYN (0.42) LCKMEN1KMT2ANPC1CASP3
SCHEMBL4171407 0.85 MEN1 (0.48) LCKMEN1KMT2ANPC1CASP3
SCHEMBL4175416 0.84 LCK (0.60) LCKMEN1KMT2ANPC1CASP3
SCHEMBL4185185 0.84 NPC1 (0.52) LCKMEN1KMT2ANPC1CASP3
SCHEMBL4175413 0.82 LCK (0.53) LCKMEN1KMT2ANPC1CASP3

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 LCK 524/4885MEN1 4377/4885KMT2A 3248/4885
US-20050222171-A1 Organic compounds JAK1, MAP3K5, MAP3K7 LCK 30/4885MEN1 1174/4885KMT2A 1110/4885
US-20090099167-A1 Organic compounds JAK1, MAP3K5, MAP3K7 LCK 30/4885MEN1 1174/4885KMT2A 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.