SCHEMBL17339262

SCHEMBL17339262

O=C(NCc1ccc(B(O)O)cc1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.70
NR1H4 Q96RI1 2/20 0.70
PPARG P37231 2/20 0.61
PPARA Q07869 2/20 0.61
TRPV1 Q8NER1 3/20 0.60
HTR2C P28335 1/20 0.58
NAMPT P43490 2/20 0.55
MAPK14 Q16539 2/20 0.55
SCN3A Q9NY46 1/20 0.53
ALDH1A1 P00352 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C9 P11712 2/20 0.50
HPGD P15428 2/20 0.50
CYP2C19 P33261 2/20 0.50
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL17339665 0.85 HTR2C (0.63) EPHX2NR1H4TRPV1HTR2CNAMPT
SCHEMBL20477570 0.85 EPHX2 (0.76) EPHX2NR1H4PPARGPPARATRPV1
SCHEMBL20477542 0.84 EPHX2 (0.74) EPHX2NR1H4PPARGPPARATRPV1
SCHEMBL95452 0.84 EPHX2 (0.74) EPHX2NR1H4PPARGPPARATRPV1
SCHEMBL3577590 0.83 EPHX2 (0.73) EPHX2NR1H4PPARGPPARATRPV1
SCHEMBL27920874 0.83 MAPK14 (0.74) EPHX2NR1H4PPARGPPARATRPV1
SCHEMBL17339455 0.83 TRPV1 (0.66) EPHX2NR1H4PPARGPPARATRPV1
SCHEMBL13764237 0.82 NPC1 (0.68) EPHX2NR1H4PPARGTRPV1ALDH1A1
SCHEMBL17339577 0.82 NPC1 (0.68) EPHX2NR1H4PPARGTRPV1ALDH1A1
SCHEMBL28649243 0.82 EPHX2 (0.70) EPHX2NR1H4PPARGPPARATRPV1

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 EPHX2 2580/4885NR1H4 4501/4885PPARG 4186/4885
US-20170129897-A1 Pyrazolopyrimidine Derivatives Useful as Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LCK EPHX2 2580/4885NR1H4 4501/4885PPARG 4186/4885

“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.