SCHEMBL4185103

SCHEMBL4185103

N#CC(C=O)c1ccncc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 1/20 0.34
CYP19A1 P11511 2/20 0.33
KDM4E B2RXH2 2/20 0.33
CYP17A1 P05093 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
HSD17B10 Q99714 1/20 0.31
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30
NEK2 P51955 1/20 0.30
PLK1 P53350 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL9489967 0.78 TSHR (0.46)
SCHEMBL544445 0.78 TSHR (0.46)
SCHEMBL4174426 0.77 CYP19A1 (0.47) SLC6A2SLC6A4SLC6A3CYP19A1MAPT
Hydrochloric Acid SCHEMBL4336665 0.76 CYP19A1 (0.46) SLC6A2SLC6A4SLC6A3CYP19A1
SCHEMBL2553737 0.75 ALDH1A1 (0.40) CYP3A4CYP2C19KDM4EHSD17B10ESR1
SCHEMBL2542920 0.75 ALDH1A1 (0.40) HSD17B10ESR1ESR2MAPT
SCHEMBL5311123 0.75 ESR1 (0.34) CYP2C19KDM4EESR1ESR2MAPT
SCHEMBL2550741 0.75 LMNA (0.46) ESR1ESR2
SCHEMBL2966587 0.73 HSP90AA1 (0.32) CYP19A1
SCHEMBL4171846 0.71 ALDH1A1 (0.49) CYP3A4KDM4EMAPT

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 disclosed
CN-101394853-A Use of pyrazolo [1, 5-a ] pyrimidin-7-ylamine derivatives in the treatment of neurological disorders NOVARTIS AG (CH) 2009-03-25 CN 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
CN-1909908-A Pyrazolo [1, 5-a ] pyrimidin-7-yl-amine derivatives for the treatment of protein kinase dependent diseases NOVARTIS AG (CH) 2007-02-07 CN 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
US-3995039-A Pyrazolo [1,5-a] [1,3,5] triazines MERCK & CO., INC. (US) 1976-11-30 US 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 SLC6A2 1099/4885SLC6A4 1511/4885SLC6A3 628/4885
US-20050222171-A1 Organic compounds JAK1, MAP3K5, MAP3K7 SLC6A2 2991/4885SLC6A4 2882/4885SLC6A3 3178/4885
US-20090099167-A1 Organic compounds JAK1, MAP3K5, MAP3K7 SLC6A2 2991/4885SLC6A4 2882/4885SLC6A3 3178/4885

“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.