SCHEMBL13069271

SCHEMBL13069271

CCCOc1cc(F)ccc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
HTR2B P41595 3/20 0.46
HTR2C P28335 2/20 0.46
HTR2A P28223 2/20 0.46
TSHR P16473 3/20 0.41
HTT P42858 3/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 3/20 0.40

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
SCHEMBL14409236 0.85 HTR2C (0.49) HTR2BHTR2CHTR2ATSHRHTT
SCHEMBL6832641 0.84 FFAR1 (0.49) FFAR1FFAR4HTR2CHTR2AHTT
SCHEMBL20124948 0.83 FFAR1 (0.49) FFAR1FFAR4HTR2BHTR2CHTR2A
SCHEMBL20224818 0.83 FFAR1 (0.46) FFAR1FFAR4HTR2BHTR2CHTR2A
SCHEMBL25974302 0.83 FFAR1 (0.46) FFAR1FFAR4HTR2ATSHRMAPT
SCHEMBL6790486 0.82 HTR2C (0.47) HTR2BHTR2CHTR2AHTTMAPT
SCHEMBL14015 0.81 FFAR1 (0.44) FFAR1FFAR4HTR2BHTR2CHTR2A
SCHEMBL15062039 0.80 KDM4E (0.51) FFAR1FFAR4HTR2BHTR2CHTR2A
SCHEMBL13069269 0.80 FFAR1 (0.49) FFAR1FFAR4HTR2CHTR2ATSHR
SCHEMBL172302 0.80 TSHR (0.61) HTR2BTSHRHTTMAPTKDM4E

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303495-A9 PYRIDINE OXYNITRIDE, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI JEYOU PHARMACEUTICAL CO., LTD. (CN) 2023-09-28 US disclosed
US-11664093-B2 Extrapolative prediction of enantioselectivity enabled by computer-driven workflow, new molecular representations and machine learning THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2023-05-30 US disclosed
US-20180125849-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS NOVARTIS AG (CH) 2018-05-10 US disclosed
US-20180125849-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS NOVARTIS AG (CH) 2018-05-10 US disclosed
US-9732078-B2 Therapeutic use of imidazopyridine derivatives SANOFI (FR) 2017-08-15 US disclosed
US-20160303132-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS NOVARTIS AG (CH) 2016-10-20 US disclosed
US-20160303132-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS NOVARTIS AG (CH) 2016-10-20 US disclosed
US-8901134-B2 Pyrazolo [3,4-D] pyrimidine derivatives useful to treat respiratory disorders NOVARTIS AG (CH) 2014-12-02 US disclosed
US-8901134-B2 Pyrazolo [3,4-D] pyrimidine derivatives useful to treat respiratory disorders NOVARTIS AG (CH) 2014-12-02 US disclosed
US-20140343054-A1 Therapeutic Use of Imidazopyridine Derivatives SANOFI (FR) 2014-11-20 US disclosed
US-20140235632-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS NOVARTIS AG (CH) 2014-08-21 US disclosed
US-20140235632-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS NOVARTIS AG (CH) 2014-08-21 US disclosed
US-8759344-B2 Imidazopyridine derivatives, process for preparation thereof and therapeutic use thereof SANOFI (FR) 2014-06-24 US disclosed
US-20140051698-A1 Pyrazolo [3,4-D] Pyrimidine Derivatives Useful to Treat Respiratory Disorders NOVARTIS AG (CH) 2014-02-20 US disclosed
US-20140051698-A1 Pyrazolo [3,4-D] Pyrimidine Derivatives Useful to Treat Respiratory Disorders NOVARTIS AG (CH) 2014-02-20 US disclosed
US-20130116250-A1 IMIDAZOPYRIDINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-05-09 US disclosed
EP-1957492-B1 SUBSTITUTED BICYCLIC PYRIMIDONE DERIVATIVES SANOFI AVENTIS (FR) 2010-11-10 EP disclosed
US-20090131457-A1 Pyrazolo [3,4-D] Pyrimidine Derivatives Useful to Treat Respiratory Disorders NOVARTIS AG (CH) 2009-05-21 US disclosed
US-20090131457-A1 Pyrazolo [3,4-D] Pyrimidine Derivatives Useful to Treat Respiratory Disorders NOVARTIS AG (CH) 2009-05-21 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 (8 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-20090131457-A1 Pyrazolo [3,4-D] Pyrimidine Derivatives Useful to Treat Respiratory Disorders PIK3CA, JAK3, PDK1 FFAR1 1877/4885FFAR4 2423/4885HTR2B 3299/4885
US-20140051698-A1 Pyrazolo [3,4-D] Pyrimidine Derivatives Useful to Treat Respiratory Disorders PIK3CA, JAK3, PDK1 FFAR1 1877/4885FFAR4 2423/4885HTR2B 3299/4885
US-20140343054-A1 Therapeutic Use of Imidazopyridine Derivatives CCNY, UTS2R, WNK2 FFAR1 4169/4885FFAR4 3676/4885HTR2B 3198/4885
US-20130116250-A1 IMIDAZOPYRIDINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF AND THERAPEUTIC USE THEREOF CCNY, ENY2, PAH FFAR1 4347/4885FFAR4 3708/4885HTR2B 1885/4885
US-20230303495-A9 PYRIDINE OXYNITRIDE, PREPARATION METHOD THEREFOR AND USE THEREOF SCN11A, HCN4, CACNA1F FFAR1 275/4885FFAR4 262/4885HTR2B 1339/4885
US-20160303132-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS PIK3CA, JAK3, PDK1 FFAR1 1877/4885FFAR4 2423/4885HTR2B 3299/4885
US-20140235632-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS PIK3CA, JAK3, PDK1 FFAR1 1877/4885FFAR4 2423/4885HTR2B 3299/4885
US-20180125849-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS PIK3CA, JAK3, PDK1 FFAR1 1877/4885FFAR4 2423/4885HTR2B 3299/4885

“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.