SCHEMBL4046366

SCHEMBL4046366

O=C(O)c1cc(Br)cc(F)c1OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.48
THRB P10828 1/20 0.48
FOLH1 Q04609 1/20 0.48
CTSV O60911 1/20 0.47
CTSL P07711 1/20 0.47
LRRK2 Q5S007 1/20 0.46
KDM1A O60341 2/20 0.45
PTGES O14684 1/20 0.45
SLC16A3 O15427 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
MCL1 Q07820 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL4046787 0.85 THRA (0.43) THRATHRBLRRK2KDM1APTGES
SCHEMBL28540917 0.85 KDM1A (0.52) FOLH1CTSVCTSLKDM1ASLC16A3
SCHEMBL1017228 0.85 KDM1A (0.54) THRATHRBKDM1AGAAMAPT
SCHEMBL5839199 0.84 FOLH1 (0.56) THRATHRBFOLH1LRRK2MCL1
SCHEMBL24057021 0.81 HPGD (0.49) THRATHRBKDM1APTGESGAA
SCHEMBL15729561 0.80 MAPT (0.57) THRATHRBKDM1AGAAMAPT
SCHEMBL14882664 0.79 CTSV (0.52) THRATHRBFOLH1CTSVCTSL
SCHEMBL25365036 0.79 CTSV (0.52) THRATHRBFOLH1CTSVCTSL
SCHEMBL4153049 0.79 NPC1 (0.55) FOLH1CTSVCTSLKDM1AMAPT
SCHEMBL23112086 0.78 KDM1A (0.46) THRATHRBKDM1AGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180125849-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS NOVARTIS AG (CH) 2018-05-10 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-20140235632-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS NOVARTIS AG (CH) 2014-08-21 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-20090131457-A1 Pyrazolo [3,4-D] Pyrimidine Derivatives Useful to Treat Respiratory Disorders NOVARTIS AG (CH) 2009-05-21 US disclosed
EP-2026811-A1 PYRAZOLO [3, 4-D]PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS Novartis AG (CH) 2009-02-25 EP disclosed
WO-2007134828-A1 PYRAZOLO [3, 4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS NOVARTIS AG (CH) 2007-11-29 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 (5 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 THRA 1637/4885THRB 1287/4885FOLH1 3314/4885
US-20140051698-A1 Pyrazolo [3,4-D] Pyrimidine Derivatives Useful to Treat Respiratory Disorders PIK3CA, JAK3, PDK1 THRA 1637/4885THRB 1287/4885FOLH1 3314/4885
US-20160303132-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS PIK3CA, JAK3, PDK1 THRA 1637/4885THRB 1287/4885FOLH1 3314/4885
US-20140235632-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS PIK3CA, JAK3, PDK1 THRA 1637/4885THRB 1287/4885FOLH1 3314/4885
US-20180125849-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS PIK3CA, JAK3, PDK1 THRA 1637/4885THRB 1287/4885FOLH1 3314/4885

“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.