SCHEMBL4170398

SCHEMBL4170398

CC(=O)C(C#N)c1cccc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CTSB P07858 1/20 0.41
ACP3 P15309 1/20 0.41
HPGD P15428 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ADRA1D P25100 1/20 0.38
GAA P10253 2/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 2/20 0.37
DHODH Q02127 1/20 0.37
PARP1 P09874 1/20 0.37
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL21632242 0.85 KMT2A (0.51) MEN1KMT2ACTSBACP3HPGD
SCHEMBL6802967 0.83 PARP1 (0.44) MEN1KMT2ACTSBACP3ALDH1A1
SCHEMBL6049547 0.82 BRD4 (0.36) ALDH1A1TSHRGAA
SCHEMBL23886929 0.81 ESR1 (0.51) ALDH1A1TSHRHSD17B10GAACYP1A2
SCHEMBL3270887 0.80 GAA (0.50) MEN1KMT2ACTSBHPGDALDH1A1
SCHEMBL4175399 0.80 ALDH1A1 (0.40) ALDH1A1GAAPARP1
SCHEMBL4171773 0.80 MEN1 (0.43) MEN1KMT2ACTSBACP3HPGD
SCHEMBL29875053 0.80 KMT2A (0.54) MEN1KMT2ACTSBACP3ALDH1A1
SCHEMBL4695083 0.80 MEN1 (0.43) MEN1KMT2ACTSBACP3HPGD
SCHEMBL19924548 0.80 KMT2A (0.54) MEN1KMT2ACTSBACP3ALDH1A1

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 14 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
US-20080234284-A1 Pyrazolo[1,5-a]Pyrimidin-7-Yl Amine Derivatives as Protein Kinase Inhibitors NOVARTIS AG (CH) 2008-09-25 US disclosed
CN-101228167-A Pyrazolo [1, 5-A ] pyrimidin-7-yl-amine derivatives as protein kinase inhibitors NOVARTIS AG (CH) 2008-07-23 CN disclosed
EP-1910368-A1 PYRAZOLO[1.5-A]PYRIMIDIN-7-YL AMINE DERIVATIVES AS PROTEIN KINASE INHIBITORS Novartis AG (CH) 2008-04-16 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
WO-2007009773-A1 PYRAZOLO[1.5-A]PYRIMIDIN-7-YL AMINE DERIVATIVES AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2007-01-25 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 (4 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 3248/4885CTSB 3257/4885
US-20050222171-A1 Organic compounds JAK1, MAP3K5, MAP3K7 MEN1 1174/4885KMT2A 1110/4885CTSB 3094/4885
US-20080234284-A1 Pyrazolo[1,5-a]Pyrimidin-7-Yl Amine Derivatives as Protein Kinase Inhibitors MAP3K5, MAP3K20, MAP3K7 MEN1 2127/4885KMT2A 1392/4885CTSB 4274/4885
US-20090099167-A1 Organic compounds JAK1, MAP3K5, MAP3K7 MEN1 1174/4885KMT2A 1110/4885CTSB 3094/4885

“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.