SCHEMBL17339342

SCHEMBL17339342

COc1c(Cl)cccc1C(=O)NCc1ccc(B(O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 4/20 0.58
HPGD P15428 5/20 0.50
LMNA P02545 2/20 0.50
TRPV1 Q8NER1 3/20 0.47
TP53 P04637 1/20 0.47
GLA P06280 1/20 0.47
MT-CO2 P00403 2/20 0.46
POLB P06746 1/20 0.43

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 0.89 HPGD (0.54) APEX1HPGDTRPV1TP53GLA
SCHEMBL17339470 0.85 APEX1 (0.50) APEX1HPGDLMNATRPV1TP53
SCHEMBL29617729 0.85 APEX1 (0.50) APEX1HPGDLMNATRPV1TP53
SCHEMBL17339231 0.83 TRPV1 (0.58) APEX1HPGDLMNATRPV1MT-CO2
SCHEMBL17339485 0.82 CTSS (0.51) APEX1HPGDTRPV1TP53GLA
SCHEMBL17339636 0.80 HPGD (0.74) HPGDLMNATRPV1TP53GLA
SCHEMBL14352881 0.79 TRPV1 (0.56) HPGDTRPV1POLB
SCHEMBL17339460 0.78 HPGD (0.56) APEX1HPGDLMNATRPV1TP53
SCHEMBL19494059 0.76 ALDH2 (0.58) TRPV1
SCHEMBL18641858 0.76 HPGD (0.64) HPGDLMNAPOLB

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 APEX1 1934/4885HPGD 2784/4885LMNA 4384/4885
US-20170129897-A1 Pyrazolopyrimidine Derivatives Useful as Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LCK APEX1 1934/4885HPGD 2784/4885LMNA 4384/4885

“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.