SCHEMBL17339485

SCHEMBL17339485

COc1c(C(=O)NCc2ccc(B(O)O)cc2)cccc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.51
APEX1 P27695 4/20 0.47
POLB P06746 1/20 0.46
TRPV1 Q8NER1 3/20 0.44
HPGD P15428 3/20 0.44
TP53 P04637 1/20 0.44
GLA P06280 1/20 0.44
NR1H4 Q96RI1 1/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PPARA Q07869 1/20 0.41

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
SCHEMBL18641946 0.86 HPGD (0.54) APEX1POLBTRPV1HPGDTP53
SCHEMBL17339470 0.85 APEX1 (0.50) APEX1POLBTRPV1HPGDTP53
SCHEMBL29617729 0.85 APEX1 (0.50) APEX1POLBTRPV1HPGDTP53
SCHEMBL17339620 0.84 TRPV1 (0.54) APEX1TRPV1HPGDMAPTALDH1A1
SCHEMBL17339552 0.83 TRPV1 (0.48) CTSSAPEX1TRPV1HPGDMAPT
SCHEMBL17339342 0.82 APEX1 (0.58) APEX1POLBTRPV1HPGDTP53
SCHEMBL17339460 0.78 HPGD (0.56) APEX1POLBTRPV1HPGDTP53
SCHEMBL6024762 0.77 CTSS (0.61) CTSSPOLBNR1H4
SCHEMBL17339636 0.77 HPGD (0.74) POLBTRPV1HPGDTP53GLA
SCHEMBL17339508 0.76 TRPV1 (0.48) TRPV1HPGDMAPTALDH1A1HTT

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 CTSS 4103/4885APEX1 1934/4885POLB 2100/4885
US-20170129897-A1 Pyrazolopyrimidine Derivatives Useful as Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LCK CTSS 4103/4885APEX1 1934/4885POLB 2100/4885

“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.