SCHEMBL17339264

SCHEMBL17339264

N#Cc1cccc(C(=O)NCc2ccc(B(O)O)cc2F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 1/20 0.49
ENPP2 Q13822 1/20 0.46
DRD2 P14416 3/20 0.46
DRD3 P35462 3/20 0.46
CHRM3 P20309 2/20 0.43
DRD4 P21917 2/20 0.43
DRD1 P21728 1/20 0.43
DRD5 P21918 1/20 0.43
GPR139 Q6DWJ6 1/20 0.43
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
POLB P06746 1/20 0.42
NAMPT P43490 1/20 0.42
HDAC3 O15379 1/20 0.41
P4HB P07237 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GSK3B P49841 1/20 0.41
GAA P10253 1/20 0.41
ALOX5 P09917 1/20 0.40
EPHX2 P34913 1/20 0.40

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
SCHEMBL29617710 0.82 TRPV1 (0.55) VNN1ENPP2CHRM3GPR139NAMPT
SCHEMBL17339504 0.82 TRPV1 (0.55) VNN1ENPP2CHRM3GPR139NAMPT
SCHEMBL28146225 0.81 VNN1 (0.48) VNN1DRD2DRD3CHRM3DRD4
SCHEMBL17339214 0.81 CHRM3 (0.56) VNN1ENPP2CHRM3CHRM2CHRM1
SCHEMBL17339282 0.78 ALDH2 (0.45) POLB
SCHEMBL13401185 0.78 ROCK2 (0.47) VNN1POLBALDH1A1EPHX2ROCK2
SCHEMBL5187761 0.76 DRD2 (0.51) VNN1DRD2DRD3DRD4DRD1
SCHEMBL5929298 0.74 BDKRB1 (0.67)
SCHEMBL17646045 0.74 EPHX2 (0.71) HDAC3EPHX2
SCHEMBL17142140 0.72 HDAC2 (0.64) VNN1CHRM3GPR139POLBALDH1A1

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 VNN1 4244/4885ENPP2 999/4885DRD2 4480/4885
US-20170129897-A1 Pyrazolopyrimidine Derivatives Useful as Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LCK VNN1 4244/4885ENPP2 999/4885DRD2 4480/4885

“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.