SCHEMBL4168930

SCHEMBL4168930

N#CCc1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.57
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
PKM P14618 1/20 0.47
ALPL P05186 1/20 0.44
ALPI P09923 1/20 0.44
ENPP1 P22413 5/20 0.43
ENPP3 O14638 4/20 0.43
ENPP2 Q13822 3/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
APEX1 P27695 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL2236246 0.85 PKM (0.50) MEN1KMT2APKMENPP1ENPP3
Chlorfenson SCHEMBL116752 0.82 TDP1 (0.81) TDP1MEN1KMT2AALPLALPI
Chlorfenson SCHEMBL7194888 0.82 TDP1 (0.81) TDP1MEN1KMT2AALPLALPI
SCHEMBL4175383 0.80 TDP1 (0.51) TDP1MEN1KMT2AALPLALPI
SCHEMBL38192 0.76 IDO1 (0.46) TDP1MEN1KMT2AALDH1A1
Methane SCHEMBL4574569 0.74 IDO1 (0.44) TDP1MEN1KMT2AALDH1A1
Ammonia Solution, Strong SCHEMBL28307654 0.74 IDO1 (0.44) TDP1MEN1KMT2AALDH1A1
SCHEMBL5734712 0.74 TDP1 (0.62) TDP1MEN1KMT2AALPLALPI
SCHEMBL4905861 0.74 TDP1 (0.68) TDP1MEN1KMT2APKMALPL
SCHEMBL27752997 0.74 TDP1 (0.68) TDP1MEN1KMT2AALPLALPI

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 6 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
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

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 TDP1 454/4885MEN1 4377/4885KMT2A 3248/4885
US-20050222171-A1 Organic compounds JAK1, MAP3K5, MAP3K7 TDP1 504/4885MEN1 1174/4885KMT2A 1110/4885
US-20090099167-A1 Organic compounds JAK1, MAP3K5, MAP3K7 TDP1 504/4885MEN1 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.