SCHEMBL17339477

SCHEMBL17339477

O=C(NCc1ccc(B(O)O)cc1)c1cc(C(F)(F)F)ccc1F

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SORT1 Q99523 2/20 0.52
DDR1 Q08345 1/20 0.50
TRPV1 Q8NER1 2/20 0.48
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
P2RX1 P51575 1/20 0.44
TMPRSS4 Q9NRS4 1/20 0.44
LSS P48449 1/20 0.44
PPARA Q07869 4/20 0.44
MGLL Q99685 1/20 0.44
MLYCD O95822 1/20 0.43
PPARD Q03181 1/20 0.43
PPARG P37231 1/20 0.43

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
SCHEMBL17339230 0.90 SORT1 (0.52) SORT1TRPV1PPARAPPARDPPARG
SCHEMBL17339354 0.86 LMNA (0.59) SORT1TRPV1LMNAHPGDP2RX1
SCHEMBL17339497 0.84 TRPV1 (0.49) TRPV1LMNA
SCHEMBL17339319 0.84 SORT1 (0.51) SORT1TRPV1LMNAHPGDP2RX1
SCHEMBL17339394 0.83 PPARA (0.65) PPARAPPARDPPARG
SCHEMBL28146169 0.82 SORT1 (0.54) SORT1DDR1LMNAHPGDP2RX1
SCHEMBL17339539 0.82 SMN1; SMN2 (0.50) TRPV1LMNAHPGD
SCHEMBL17339455 0.81 TRPV1 (0.66) TRPV1LSSPPARAMGLLMLYCD
SCHEMBL17339641 0.81 TRPV1 (0.51) TRPV1LMNAPPARG
SCHEMBL17339525 0.81 PPARA (0.58) HPGDPPARAPPARDPPARG

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 SORT1 4760/4885DDR1 2009/4885TRPV1 3141/4885
US-20170129897-A1 Pyrazolopyrimidine Derivatives Useful as Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LCK SORT1 4760/4885DDR1 2009/4885TRPV1 3141/4885

“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.