SCHEMBL17339231

SCHEMBL17339231

O=C(NCc1ccc(B(O)O)cc1)c1ccccc1Cl

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.58
APEX1 P27695 1/20 0.54
GFER P55789 1/20 0.54
HPGD P15428 5/20 0.53
LMNA P02545 2/20 0.53
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
ALDH1A1 P00352 2/20 0.52
KMT2A Q03164 1/20 0.50
CYP1A2 P05177 1/20 0.50
MT-CO2 P00403 1/20 0.49
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSP90AA1 P07900 1/20 0.49

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
SCHEMBL6358889 0.84 ALDH1A1 (0.65) APEX1GFERHPGDLMNANPC1
SCHEMBL5860823 0.84 NPC1 (0.71) APEX1GFERHPGDLMNANPC1
SCHEMBL14352881 0.84 TRPV1 (0.56) TRPV1HPGDALDH1A1POLB
SCHEMBL17339342 0.83 APEX1 (0.58) TRPV1APEX1HPGDLMNAMT-CO2
SCHEMBL28383851 0.83 HSP90AA1 (0.57) TRPV1APEX1HPGDLMNANPC1
SCHEMBL17339267 0.82 TRPV1 (0.58) TRPV1APEX1HPGDLMNANPC1
SCHEMBL17339617 0.82 MAPK1 (0.65) TRPV1APEX1HPGDNPC1RAB9A
SCHEMBL15686093 0.82 HPGD (0.68) APEX1GFERHPGDLMNANPC1
SCHEMBL26921872 0.82 APEX1 (0.57) APEX1GFERHPGDLMNANPC1
SCHEMBL15686619 0.82 KMT2A (0.70) APEX1GFERHPGDLMNANPC1

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 TRPV1 3141/4885APEX1 1934/4885GFER 3146/4885
US-20170129897-A1 Pyrazolopyrimidine Derivatives Useful as Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LCK TRPV1 3141/4885APEX1 1934/4885GFER 3146/4885

“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.