SCHEMBL17339665

SCHEMBL17339665

O=C(NCc1ccc(B(O)O)cc1)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.63
MAPK14 Q16539 1/20 0.57
ROCK2 O75116 2/20 0.54
ROCK1 Q13464 1/20 0.54
CHRM3 P20309 1/20 0.53
TRPV1 Q8NER1 1/20 0.52
EPHX2 P34913 1/20 0.52
NR1H4 Q96RI1 1/20 0.52
DDR1 Q08345 2/20 0.51
NAMPT P43490 4/20 0.50
GPR139 Q6DWJ6 1/20 0.49
KAT6A Q92794 1/20 0.49
MMP13 P45452 1/20 0.47

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
SCHEMBL17339262 0.85 EPHX2 (0.70) HTR2CMAPK14ROCK2ROCK1TRPV1
SCHEMBL17339606 0.84 MMP13 (0.67) TRPV1MMP13
SCHEMBL28844020 0.83 HTR2C (0.62) HTR2CMAPK14ROCK2ROCK1CHRM3
SCHEMBL17339576 0.81 ALDH1A1 (0.66) CHRM3TRPV1EPHX2NR1H4
SCHEMBL5607255 0.80 HTR2C (0.61) HTR2CMAPK14ROCK2ROCK1CHRM3
SCHEMBL5607247 0.80 HTR2C (0.61) HTR2CMAPK14ROCK2ROCK1CHRM3
SCHEMBL257930 0.80 HPGD (0.63) MAPK14CHRM3TRPV1MMP13
SCHEMBL2134167 0.78 HTR2C (0.56) HTR2CMAPK14ROCK2ROCK1CHRM3
SCHEMBL17339548 0.77 CA1 (0.64) CHRM3TRPV1EPHX2NR1H4
SCHEMBL17339269 0.77 CA1 (0.64) TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190119281-A1 Pyrazolopyrimidine Derivatives Useful as Inhibitors of Bruton's Tyrosine Kinase LOXO ONCOLOGY INC (US) 2019-04-25 US disclosed
EP-3154978-B1 PYRAZOLOPYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF BRUTON'S TYROSINE KINASE LOXO ONCOLOGY INC (US) 2019-04-03 EP disclosed
US-9975897-B2 Pyrazolopyrimidine derivatives useful as inhibitors of Bruton's tyrosine kinase LOXO ONCOLOGY, INC. (US) 2018-05-22 US disclosed
US-20170129897-A1 Pyrazolopyrimidine Derivatives Useful as Inhibitors of Bruton's Tyrosine Kinase LOXO ONCOLOGY, INC. 2017-05-11 US disclosed
EP-3154978-A1 PYRAZOLOPYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF BRUTON'S TYROSINE KINASE Redx Pharma Plc (GB) 2017-04-19 EP disclosed
WO-2015189620-A1 PYRAZOLOPYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF BRUTON'S TYROSINE KINASE REDX PHARMA PLC (GB) 2015-12-17 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-20190119281-A1 Pyrazolopyrimidine Derivatives Useful as Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LCK HTR2C 3684/4885MAPK14 529/4885ROCK2 507/4885
US-20170129897-A1 Pyrazolopyrimidine Derivatives Useful as Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LCK HTR2C 3684/4885MAPK14 529/4885ROCK2 507/4885

“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.