SCHEMBL1010472

SCHEMBL1010472

CC1=NCCc2ccc(F)cc21

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
NISCH Q9Y2I1 1/20 0.42
TYMS P04818 2/20 0.42
PARP1 P09874 1/20 0.42
PARP10 Q53GL7 1/20 0.42
SRD5A1 P18405 1/20 0.41
ACHE P22303 1/20 0.39
MAPK10 P53779 2/20 0.38
NOS3 P29474 2/20 0.35
NOS2 P35228 1/20 0.35
HTR5A P47898 2/20 0.34
NPY5R Q15761 1/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
PTAFR P25105 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
SCHEMBL30656741 1.00 MAOA (0.50) MAOAKDM4EALDH1A1GAAMAPT
SCHEMBL1009901 0.85 MAOA (0.50) MAOAKDM4EALDH1A1GAAMAPT
SCHEMBL1009906 0.81 MAOA (0.53) MAOAKDM4EALDH1A1GAAMAPT
SCHEMBL1009165 0.78 MAOA (0.50) MAOAKDM4EALDH1A1GAAMAPT
SCHEMBL1011035 0.78 MAOA (0.50) MAOAKDM4EALDH1A1GAAMAPT
SCHEMBL7993632 0.78 MAOA (0.50) MAOAKDM4EALDH1A1GAAMAPT
SCHEMBL29405492 0.78 MAOA (0.50) MAOAKDM4EALDH1A1GAAMAPT
SCHEMBL1010841 0.77 PARP1 (0.46) MAOAKDM4EALDH1A1GAAMAPT
SCHEMBL625670 0.77 MAOA (0.58) MAOAKDM4EALDH1A1GAAMAPT
SCHEMBL19862022 0.76 MAPK10 (0.46) 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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111417635-B Pyrazolopyrimidines with anti-Respiratory Syncytial Virus (RSV) activity 爱尔兰詹森科学公司 2024-01-02 CN disclosed
WO-2023029943-A1 AROMATIC HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 星药科技(北京)有限公司 2023-03-09 WO disclosed
US-11339165-B2 Pyrazolopyrimidines having activity against the respiratory syncytial virus (RSV) Janssen Sciences Ireland Unlimited Company (IE) 2022-05-24 US disclosed
US-11339165-B2 Pyrazolopyrimidines having activity against the respiratory syncytial virus (RSV) Janssen Sciences Ireland Unlimited Company (IE) 2022-05-24 US disclosed
EP-3717486-B1 PYRAZOLOPYRIMIDINES HAVING ACTIVITY AGAINST THE RESPIRATORY SYNCYTIAL VIRUS (RSV) JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2022-03-23 EP disclosed
US-20200361942-A1 PYRAZOLOPYRIMIDINES HAVING ACTIVITY AGAINST THE RESPIRATORY SYNCYTIAL VIRUS (RSV) Janssen Sciences Ireland Unlimited Company (IE) 2020-11-19 US disclosed
US-20200361942-A1 PYRAZOLOPYRIMIDINES HAVING ACTIVITY AGAINST THE RESPIRATORY SYNCYTIAL VIRUS (RSV) Janssen Sciences Ireland Unlimited Company (IE) 2020-11-19 US disclosed
CN-111417635-A Pyrazolopyrimidines having activity against Respiratory Syncytial Virus (RSV) 爱尔兰詹森科学公司 2020-07-14 CN 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-20110212956-A1 Pyrazolopyrimidines for treating CNS disorders MERZ PHARMA GMBH & CO. KGAA (DE) 2011-09-01 US disclosed
US-5777132-A CHEMICAL CONDENSATION OF NITRILE AMIDE WITH DIENOPHILE AMERICAN CYANAMID COMPANY (US) 1998-07-07 US disclosed
US-5777132-A CHEMICAL CONDENSATION OF NITRILE AMIDE WITH DIENOPHILE AMERICAN CYANAMID COMPANY (US) 1998-07-07 US disclosed
US-5750726-A INSECTICIDES; REACTION OF AMIDE NITRILE COMPOUND AMERICAN CYANAMID COMPANY (US) 1998-05-12 US disclosed
US-5750726-A INSECTICIDES; REACTION OF AMIDE NITRILE COMPOUND AMERICAN CYANAMID COMPANY (US) 1998-05-12 US disclosed
US-5750726-A INSECTICIDES; REACTION OF AMIDE NITRILE COMPOUND AMERICAN CYANAMID COMPANY (US) 1998-05-12 US disclosed
CN-1170718-A Process for manufacture of 2-aryl-5-perfluoroalkylpyrrole derivatives and intermediates useful therefor AMERICAN CYANAMID CO (US) 1998-01-21 CN disclosed
CN-1170718-A Process for manufacture of 2-aryl-5-perfluoroalkylpyrrole derivatives and intermediates useful therefor AMERICAN CYANAMID CO (US) 1998-01-21 CN disclosed
EP-0816337-A1 A process for the manufacture of 2 aryl 5 perfluoroalkylpyrrole derivatives and intermediates useful therefor American Cyanamid Company (US) 1998-01-07 EP disclosed
EP-0816337-A1 A process for the manufacture of 2 aryl 5 perfluoroalkylpyrrole derivatives and intermediates useful therefor American Cyanamid Company (US) 1998-01-07 EP disclosed
EP-0816337-A1 A process for the manufacture of 2 aryl 5 perfluoroalkylpyrrole derivatives and intermediates useful therefor American Cyanamid Company (US) 1998-01-07 EP 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-20200361942-A1 PYRAZOLOPYRIMIDINES HAVING ACTIVITY AGAINST THE RESPIRATORY SYNCYTIAL VIRUS (RSV) RRP15, MAVS, ACE MAOA 2470/4885KDM4E 2862/4885ALDH1A1 1980/4885
US-11339165-B2 Pyrazolopyrimidines having activity against the respiratory syncytial virus (RSV) RRP15, MAVS, ACE MAOA 2470/4885KDM4E 2862/4885ALDH1A1 1980/4885
US-20110212956-A1 Pyrazolopyrimidines for treating CNS disorders GRM5, GRM3, GRM1 MAOA 3070/4885KDM4E 1101/4885ALDH1A1 2895/4885

“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.