SCHEMBL17339282

SCHEMBL17339282

O=C(NCc1ccc(B(O)O)cc1F)c1c(F)cccc1F

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH2 P05091 2/20 0.45
BDKRB1 P46663 7/20 0.44
HPGD P15428 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
POLB P06746 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL17339571 0.82 NPC1 (0.51) ALDH2HPGDNPC1RAB9APOLB
SCHEMBL17339332 0.81 TRPV1 (0.56) ALDH2NPC1RAB9APOLBMEN1
SCHEMBL17339264 0.78 VNN1 (0.49) POLB
SCHEMBL17646045 0.76 EPHX2 (0.71) RAB9A
SCHEMBL17339530 0.76 HPGD (0.61) HPGDNPC1RAB9APOLB
SCHEMBL13401185 0.76 ROCK2 (0.47) HPGDPOLBMEN1KMT2A
SCHEMBL28145222 0.74 NPC1 (0.46) ALDH2BDKRB1HPGDNPC1RAB9A
SCHEMBL2723309 0.73 EPHX2 (0.41) BDKRB1
SCHEMBL29925025 0.73 EPHX2 (0.41) BDKRB1
SCHEMBL17339612 0.73 PDE10A (0.52) HPGD

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 ALDH2 3352/4885BDKRB1 1034/4885HPGD 2784/4885
US-20170129897-A1 Pyrazolopyrimidine Derivatives Useful as Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LCK ALDH2 3352/4885BDKRB1 1034/4885HPGD 2784/4885

“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.