SCHEMBL4168433

SCHEMBL4168433

COc1cc(OC)cc(C(C#N)C=O)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
PDE4A P27815 8/20 0.37
PDE4B Q07343 8/20 0.37
PDE4C Q08493 8/20 0.37
PDE4D Q08499 8/20 0.37
NQO2 P16083 1/20 0.35
EGFR P00533 2/20 0.34
GAA P10253 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
NFE2L2 Q16236 1/20 0.34
USP2 O75604 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL4170506 0.83 CHRM2 (0.46) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL4171846 0.81 ALDH1A1 (0.49) ALDH1A1GAAMAPT
SCHEMBL4441582 0.78 AKR1C3 (0.49) MAPT
SCHEMBL1057669 0.74 ACHE (0.54) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL4713706 0.72 ALDH1A1 (0.48) ALDH1A1CYP1A1CYP1B1PDE4APDE4B
SCHEMBL27634482 0.72 ALDH1A1 (0.48) ALDH1A1CYP1A1CYP1B1NQO2ABCG2
SCHEMBL4716539 0.71 ALDH1A1 (0.46) ALDH1A1CYP1A1CYP1B1PDE4APDE4B
SCHEMBL11854342 0.71 ALDH1A1 (0.46) ALDH1A1CYP1A1CYP1B1PDE4APDE4B
SCHEMBL4710902 0.71 ALDH1A1 (0.46) ALDH1A1CYP1A1CYP1B1PDE4APDE4B
SCHEMBL1162537 0.71 ALDH1A1 (0.46) ALDH1A1CYP1A1CYP1B1NQO2ABCG2

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 10 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

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 ALDH1A1 578/4885CYP1A1 2942/4885CYP1B1 2523/4885
US-20050222171-A1 Organic compounds JAK1, MAP3K5, MAP3K7 ALDH1A1 1515/4885CYP1A1 1104/4885CYP1B1 924/4885
US-20090099167-A1 Organic compounds JAK1, MAP3K5, MAP3K7 ALDH1A1 1515/4885CYP1A1 1104/4885CYP1B1 924/4885

“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.