SCHEMBL4181970

SCHEMBL4181970

COc1ccc(N2CCN(C)CC2)cc1C(C#N)C=O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.46
ALDH1A1 P00352 2/20 0.44
HTR6 P50406 3/20 0.42
POLB P06746 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SLC16A3 O15427 2/20 0.41
SLC16A1 P53985 2/20 0.41
NSD2 O96028 1/20 0.41
ACHE P22303 1/20 0.40
HTR1A P08908 2/20 0.39
HTR1D P28221 2/20 0.39
HTR1B P28222 2/20 0.39
HTR2A P28223 1/20 0.39
TNIK Q9UKE5 1/20 0.39
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38

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
SCHEMBL4177871 0.83 SIRT6 (0.48) SIRT6ALDH1A1HTR6POLBNPC1
SCHEMBL4168269 0.77 ADRA2C (0.48) ALDH1A1HTR6HTR1AHTR2ACTSB
SCHEMBL3585239 0.76 ALDH1A1 (0.41) SIRT6ALDH1A1CTSBCTSSCTSK
SCHEMBL4174461 0.76 ALDH1A1 (0.53) SIRT6ALDH1A1NPC1RAB9ACTSB
SCHEMBL16093967 0.73 KDM4E (0.43) ALDH1A1POLBRAB9AACHE
SCHEMBL13243994 0.72 SIRT6 (0.63) SIRT6ALDH1A1HTR6POLBNPC1
SCHEMBL4163222 0.71 CA1 (0.41) ALDH1A1POLBACHE
SCHEMBL15155902 0.71 ALDH1A1 (0.78) SIRT6ALDH1A1HTR6POLBNPC1
SCHEMBL15283462 0.70 SIRT6 (0.54) SIRT6ALDH1A1HTR6POLBNPC1
SCHEMBL30132248 0.70 SIRT6 (0.54) SIRT6ALDH1A1HTR6POLBNPC1

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 8 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 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 SIRT6 4086/4885ALDH1A1 578/4885HTR6 289/4885
US-20050222171-A1 Organic compounds JAK1, MAP3K5, MAP3K7 SIRT6 2923/4885ALDH1A1 1515/4885HTR6 1565/4885
US-20090099167-A1 Organic compounds JAK1, MAP3K5, MAP3K7 SIRT6 2923/4885ALDH1A1 1515/4885HTR6 1565/4885

“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.