SCHEMBL17339552

SCHEMBL17339552

O=C(NCc1ccc(B(O)O)cc1)c1cccc(C(F)(F)F)c1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.48
KAT6A Q92794 1/20 0.47
CTSS P25774 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
HTT P42858 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
P2RX7 Q99572 1/20 0.43
APEX1 P27695 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
TAS1R2 Q8TE23 1/20 0.43
HDAC6 Q9UBN7 1/20 0.42
LMNA P02545 2/20 0.41
CNR2 P34972 1/20 0.41
EPHX2 P34913 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
SCHEMBL17339620 0.88 TRPV1 (0.54) TRPV1CYP1A2CYP2C19KMT2AHTT
SCHEMBL17339519 0.84 TRPV1 (0.52) TRPV1CYP1A2CYP2C19KMT2AHTT
SCHEMBL17339485 0.83 CTSS (0.51) TRPV1CTSSHTTALDH1A1MAPT
SCHEMBL17339508 0.82 TRPV1 (0.48) TRPV1HTTALDH1A1MAPTHPGD
SCHEMBL28146186 0.82 CTSS (0.48) KAT6ACTSSCYP1A2CYP2C19KMT2A
SCHEMBL17339374 0.82 HTT (0.58) TRPV1KAT6ACYP1A2CYP2C19KMT2A
SCHEMBL17339533 0.80 CNR2 (0.46) TRPV1CYP1A2CYP2C19KMT2AHTT
SCHEMBL17339460 0.79 HPGD (0.56) TRPV1KAT6ACYP1A2CYP2C19KMT2A
SCHEMBL17339267 0.79 TRPV1 (0.58) TRPV1CYP1A2CYP2C19KMT2AALDH1A1
SCHEMBL13752996 0.76 CTSS (0.61) KAT6ACTSSKMT2AP2RX7TAS1R3

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 3141/4885KAT6A 3188/4885CTSS 4103/4885
US-20170129897-A1 Pyrazolopyrimidine Derivatives Useful as Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LCK TRPV1 3141/4885KAT6A 3188/4885CTSS 4103/4885

“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.