SCHEMBL17339359

SCHEMBL17339359

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

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.69
L3MBTL1 Q9Y468 1/20 0.63
LMNA P02545 2/20 0.62
ENPP2 Q13822 1/20 0.59
CXCR4 P61073 1/20 0.59
CYP3A4 P08684 1/20 0.55
MAPK14 Q16539 1/20 0.55
CXCR1 P25024 2/20 0.54
CXCR2 P25025 2/20 0.54
EPHX2 P34913 1/20 0.52
PPARG P37231 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
POLB P06746 1/20 0.51

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
SCHEMBL6077802 0.88 L3MBTL1 (0.77) L3MBTL1LMNACXCR4CYP3A4MAPK14
SCHEMBL17339263 0.86 TRPV1 (0.59) TRPV1L3MBTL1LMNAENPP2CXCR4
SCHEMBL17339455 0.85 TRPV1 (0.66) TRPV1MAPK14EPHX2PPARG
SCHEMBL17339329 0.84 TRPV1 (0.69) TRPV1LMNACYP3A4MAPK14SMN1; SMN2
SCHEMBL17339618 0.84 TRPV1 (0.69) TRPV1CYP3A4MAPK14EPHX2PPARG
SCHEMBL24689977 0.84 TRPV1 (0.69) TRPV1EPHX2
SCHEMBL387445 0.84 TRPV1 (0.83) TRPV1LMNAEPHX2POLB
SCHEMBL17339425 0.84 TRPV1 (0.83) TRPV1EPHX2
SCHEMBL17339576 0.84 ALDH1A1 (0.66) TRPV1LMNAEPHX2PPARG
SCHEMBL6569859 0.82 HDAC6 (0.73) L3MBTL1LMNACXCR4CYP3A4MAPK14

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 3141/4885L3MBTL1 1808/4885LMNA 4384/4885
US-20170129897-A1 Pyrazolopyrimidine Derivatives Useful as Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LCK TRPV1 3141/4885L3MBTL1 1808/4885LMNA 4384/4885

“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.