SCHEMBL13855834

SCHEMBL13855834

Cc1cc(Cl)c(OC(F)(F)F)c(Br)c1O

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 1/20 0.32
AKR1C1 Q04828 1/20 0.32
MEN1 O00255 2/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP3A4 P08684 1/20 0.31
KCNH2 Q12809 1/20 0.31
CACNA1C Q13936 1/20 0.31
SCN5A Q14524 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
SIRT1 Q96EB6 1/20 0.30
XBP1 P17861 1/20 0.30
WDR5 P61964 1/20 0.30

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
SCHEMBL27302981 0.83 CYP1A2 (0.30)
SCHEMBL17744293 0.80 WDR5 (0.32) AKR1C2AKR1C1WDR5
SCHEMBL17744568 0.74 GPR35 (0.43) MEN1MAPTKMT2ACYP3A4
SCHEMBL27044334 0.74 CYP3A4 (0.43) AKR1C2AKR1C1MEN1MAPTKMT2A
SCHEMBL13855828 0.72 SIRT1 (0.42) MEN1MAPTKMT2ACYP3A4SIRT1
SCHEMBL29344158 0.70 HSD17B10 (0.37) AKR1C2AKR1C1CYP3A4
SCHEMBL29344162 0.70 KMT2A (0.42) MEN1MAPTKMT2ACYP3A4
SCHEMBL24512726 0.70 HSD17B10 (0.44) AKR1C2AKR1C1CYP3A4
SCHEMBL671153 0.70 MAPT (0.35) MEN1MAPTKMT2ACYP3A4KCNH2
SCHEMBL26231908 0.70 WDR5 (0.35) WDR5

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 12 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-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-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-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-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-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 (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 AKR1C2 1434/4885AKR1C1 1332/4885MEN1 4104/4885
US-20140051698-A1 Pyrazolo [3,4-D] Pyrimidine Derivatives Useful to Treat Respiratory Disorders PIK3CA, JAK3, PDK1 AKR1C2 1434/4885AKR1C1 1332/4885MEN1 4104/4885
US-20160303132-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS PIK3CA, JAK3, PDK1 AKR1C2 1434/4885AKR1C1 1332/4885MEN1 4104/4885
US-20140235632-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS PIK3CA, JAK3, PDK1 AKR1C2 1434/4885AKR1C1 1332/4885MEN1 4104/4885
US-20180125849-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS PIK3CA, JAK3, PDK1 AKR1C2 1434/4885AKR1C1 1332/4885MEN1 4104/4885

“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.