SCHEMBL17339263

SCHEMBL17339263

O=C(NCc1ccc(B(O)O)cc1)c1cc(F)cc(F)c1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.59
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
LMNA P02545 3/20 0.48
ENPP2 Q13822 1/20 0.47
CXCR1 P25024 2/20 0.47
CXCR2 P25025 2/20 0.47
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
CXCR4 P61073 1/20 0.45
AURKA O14965 1/20 0.44

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
SCHEMBL17339576 0.88 ALDH1A1 (0.66) TRPV1MEN1KMT2AALDH1A1LMNA
SCHEMBL17339359 0.86 TRPV1 (0.69) TRPV1L3MBTL1LMNAENPP2CXCR1
SCHEMBL430159 0.84 ALDH1A1 (0.58) TRPV1MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL17339495 0.82 GAA (0.64) TRPV1MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL17339225 0.81 MLYCD (0.56) TRPV1MEN1KMT2ALMNA
SCHEMBL28328415 0.81 ALDH1A1 (0.64) KMT2AALDH1A1LMNAHPGDTSHR
SCHEMBL17339425 0.80 TRPV1 (0.83) TRPV1HPGD
SCHEMBL17339332 0.79 TRPV1 (0.56) TRPV1MEN1KMT2AALDH1A1TSHR
SCHEMBL20804634 0.79 L3MBTL1 (0.70) MEN1KMT2AALDH1A1L3MBTL1LMNA
SCHEMBL17339497 0.78 TRPV1 (0.49) TRPV1KMT2AL3MBTL1LMNAENPP2

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 3141/4885MEN1 3045/4885KMT2A 1596/4885
US-20170129897-A1 Pyrazolopyrimidine Derivatives Useful as Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LCK TRPV1 3141/4885MEN1 3045/4885KMT2A 1596/4885

“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.