SCHEMBL1009906

SCHEMBL1009906

CC1=NCCc2ccc(C)cc21

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
PARP1 P09874 1/20 0.44
PARP10 Q53GL7 1/20 0.44
CYP19A1 P11511 4/20 0.42
CYP11B2 P19099 2/20 0.42
METAP1 P53582 2/20 0.38
ACHE P22303 1/20 0.38
TYMS P04818 1/20 0.38
NISCH Q9Y2I1 1/20 0.38
NOS3 P29474 1/20 0.37
NOS2 P35228 1/20 0.37
HTR5A P47898 2/20 0.36
NPY5R Q15761 1/20 0.35
ADORA1 P30542 1/20 0.35

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
SCHEMBL2616780 0.89 MAOA (0.42) MAOAKDM4EALDH1A1GAAMAPT
SCHEMBL2616773 0.84 MAOA (0.53) MAOAKDM4EALDH1A1GAAMAPT
SCHEMBL1011035 0.81 MAOA (0.50) MAOAKDM4EALDH1A1GAAMAPT
SCHEMBL30656741 0.81 MAOA (0.50) MAOAKDM4EALDH1A1GAAMAPT
SCHEMBL1010472 0.81 MAOA (0.50) MAOAKDM4EALDH1A1GAAMAPT
SCHEMBL29405492 0.81 MAOA (0.50) MAOAKDM4EALDH1A1GAAMAPT
SCHEMBL7993632 0.81 MAOA (0.50) MAOAKDM4EALDH1A1GAAMAPT
SCHEMBL1009165 0.81 MAOA (0.50) MAOAKDM4EALDH1A1GAAMAPT
SCHEMBL24453852 0.79 HTR5A (0.46) MAOAKDM4EALDH1A1GAAMAPT
SCHEMBL1010356 0.78 MAOA (0.60) MAOAKDM4EALDH1A1GAAMAPT

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11806343-B2 Inhibitors of DUX4 induction for regulation of muscle function SONIC MASTER LIMITED (VG) 2023-11-07 US disclosed
US-8586565-B2 Kinase inhibitors useful for the treatment of myleoproliferative diseases and other proliferative diseases DECIPHERA PHARMACEUTICALS, LLC (US) 2013-11-19 US disclosed
CN-101501036-B Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO KGAA 2013-04-17 CN disclosed
US-20120225057-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF MYELOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2012-09-06 US disclosed
US-8163756-B2 For example,1-(3-t-butyl-1- (1,2,3,4-tetrahydro- isoquinolin-6-yl)-1H- pyrazol-5-yl)-3-(3- cyanophenyl)urea; for treatment of mammalian cancers and inflammatory diseases including rheumatoid arthritis, retinopathies DECIPHERA PHARMACEUTICALS, LLC (US) 2012-04-24 US disclosed
US-20110212956-A1 Pyrazolopyrimidines for treating CNS disorders MERZ PHARMA GMBH & CO. KGAA (DE) 2011-09-01 US disclosed
US-20110212956-A1 Pyrazolopyrimidines for treating CNS disorders MERZ PHARMA GMBH & CO. KGAA (DE) 2011-09-01 US disclosed
US-20110212956-A1 Pyrazolopyrimidines for treating CNS disorders MERZ PHARMA GMBH & CO. KGAA (DE) 2011-09-01 US disclosed
US-7985753-B2 Substituted pyrazolo[1,5-A]pyrimidines as metabotropic glutamate receptor modulators MERZ PHARMA GMBH & CO. KGAA (DE) 2011-07-26 US disclosed
US-7985753-B2 Substituted pyrazolo[1,5-A]pyrimidines as metabotropic glutamate receptor modulators MERZ PHARMA GMBH & CO. KGAA (DE) 2011-07-26 US disclosed
CN-101501036-A Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO KGAA (DE) 2009-08-05 CN disclosed
EP-2054416-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE Merz Pharma GmbH & Co. KGaA (DE) 2009-05-06 EP disclosed
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2008-05-15 US disclosed
US-20080090856-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2008-04-17 US disclosed
US-20080039458-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-14 US disclosed
US-20080039458-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-14 US disclosed
US-20080039458-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-14 US disclosed
WO-2008015269-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 WO disclosed
WO-2008015269-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 WO disclosed
US-20070078121-A1 Enzyme modulators and treatments DECIPHERA PHARMACEUTICALS, LLC 2007-04-05 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 (7 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-20120225057-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF MYELOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES ABL1, MCL1, ABL2 MAOA 2815/4885KDM4E 2389/4885ALDH1A1 2528/4885
US-20080090856-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES MYLK3, MYLK, CDK3 MAOA 3487/4885KDM4E 976/4885ALDH1A1 3467/4885
US-11806343-B2 Inhibitors of DUX4 induction for regulation of muscle function MUSK, MERTK, PRKDC MAOA 4052/4885KDM4E 254/4885ALDH1A1 4668/4885
US-20110212956-A1 Pyrazolopyrimidines for treating CNS disorders GRM5, GRM3, GRM1 MAOA 3070/4885KDM4E 1101/4885ALDH1A1 2895/4885
US-20080039458-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM1, GRM3 MAOA 2896/4885KDM4E 1357/4885ALDH1A1 3094/4885
US-20070078121-A1 Enzyme modulators and treatments ABL1, ABL2, LCK MAOA 1790/4885KDM4E 1665/4885ALDH1A1 1036/4885
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS ABL2, BRAF, MAP3K1 MAOA 1479/4885KDM4E 1061/4885ALDH1A1 1274/4885

“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.