SCHEMBL11959166

SCHEMBL11959166

COc1c(F)cnc(CCl)c1C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AGXT P21549 1/20 0.44
HSP90AA1 P07900 5/20 0.35
TRAP1 Q12931 2/20 0.35
ATP4A P20648 3/20 0.35
ATP4B P51164 3/20 0.35
HSP90AB1 P08238 2/20 0.33
HSP90B1 P14625 1/20 0.33
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
FTO Q9C0B1 1/20 0.31
PDE10A Q9Y233 1/20 0.31
SHMT2 P34897 1/20 0.30
WDR5 P61964 1/20 0.30
KMT2A Q03164 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
Hydrochloric Acid SCHEMBL191090 0.98 AGXT (0.42) AGXTHSP90AA1TRAP1ATP4AATP4B
SCHEMBL191985 0.84 AGXT (0.45) AGXTHSP90AA1TRAP1ATP4AATP4B
SCHEMBL1160150 0.81 AGXT (0.64) AGXTHSP90AA1TRAP1ATP4AATP4B
SCHEMBL29546790 0.81 AGXT (0.64) AGXTHSP90AA1TRAP1ATP4AATP4B
SCHEMBL2629580 0.81 AGXT (0.46) AGXTHSP90AA1TRAP1ATP4AATP4B
Hydrochloric Acid SCHEMBL29385728 0.80 AGXT (0.62) AGXTHSP90AA1TRAP1ATP4AATP4B
Hydrochloric Acid SCHEMBL311423 0.80 AGXT (0.62) AGXTHSP90AA1TRAP1ATP4AATP4B
SCHEMBL27278545 0.80 AGXT (0.45) AGXTHSP90AA1TRAP1ATP4AATP4B
SCHEMBL29892728 0.80 AGXT (0.62) AGXTHSP90AA1TRAP1ATP4AATP4B
Hydrochloric Acid SCHEMBL2111386 0.80 AGXT (0.45) AGXTHSP90AA1TRAP1ATP4AATP4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445504-B2 Tricyclic pyrazolopyrimidine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-05-21 US disclosed
US-8445504-B2 Tricyclic pyrazolopyrimidine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-05-21 US disclosed
US-20120202833-A1 TRICYCLIC PYRAZOLOPYRIMIDINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-08-09 US disclosed
US-20120202833-A1 TRICYCLIC PYRAZOLOPYRIMIDINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-08-09 US disclosed
US-8236813-B2 Tricyclic pyrazolopyrimidine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-08-07 US disclosed
US-8236813-B2 Tricyclic pyrazolopyrimidine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-08-07 US disclosed
US-20110071170-A1 TRICYCLIC PYRAZOLOPYRIMIDINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-24 US disclosed
US-20110071170-A1 TRICYCLIC PYRAZOLOPYRIMIDINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-24 US disclosed
WO-2010098344-A1 TRICYCLIC PYRAZOLOPYRIMIDINE DERIVATIVE 第一三共株式会社 (JP) 2010-09-02 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 (2 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-20120202833-A1 TRICYCLIC PYRAZOLOPYRIMIDINE DERIVATIVES HSP90AB1, HSP90B1, HSP90AA1 AGXT 3394/4885HSP90AA1 3/4885TRAP1 17/4885
US-20110071170-A1 TRICYCLIC PYRAZOLOPYRIMIDINE DERIVATIVES HSP90AB1, HSP90B1, HSP90AA1 AGXT 3394/4885HSP90AA1 3/4885TRAP1 17/4885

“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.