SCHEMBL17339495

SCHEMBL17339495

Cc1cc(C)cc(C(=O)NCc2ccc(B(O)O)cc2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.64
TRPV1 Q8NER1 4/20 0.59
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
KDM4E B2RXH2 2/20 0.48
MAPT P10636 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HTT P42858 1/20 0.48
NR1H4 Q96RI1 1/20 0.48
POLB P06746 2/20 0.47
EPHX2 P34913 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPK14 Q16539 1/20 0.45
RECQL P46063 1/20 0.45
BLM P54132 1/20 0.45
MCL1 Q07820 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL17339548 0.87 CA1 (0.64) GAATRPV1CA1CA2ALDH1A1
SCHEMBL17339329 0.86 TRPV1 (0.69) TRPV1KDM4EMAPTALDH1A1HTT
SCHEMBL17339263 0.82 TRPV1 (0.59) TRPV1ALDH1A1MEN1KMT2ALMNA
SCHEMBL17339453 0.81 SMN1; SMN2 (0.63) GAATRPV1KDM4EMAPTALDH1A1
SCHEMBL14894166 0.81 GAA (0.71) GAAKDM4EALDH1A1POLBMEN1
SCHEMBL1694501 0.80 TRPV1 (0.61) TRPV1
SCHEMBL17339425 0.80 TRPV1 (0.83) TRPV1NR1H4EPHX2
SCHEMBL17339225 0.78 MLYCD (0.56) GAATRPV1EPHX2MEN1KMT2A
Picobenzide SCHEMBL2108877 0.78 GAA (1.00) GAACA2ALDH1A1HTTPOLB
SCHEMBL28145216 0.78 GAA (0.68) GAACA1CA2KDM4EMAPT

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 GAA 1912/4885TRPV1 3141/4885CA1 4709/4885
US-20170129897-A1 Pyrazolopyrimidine Derivatives Useful as Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LCK GAA 1912/4885TRPV1 3141/4885CA1 4709/4885

“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.