SCHEMBL19961237

SCHEMBL19961237

Cc1cc(CN(C)C(=O)OC(C)(C)C)ncc1Br

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.41
SLC6A4 P31645 8/20 0.41
CACNA1G O43497 1/20 0.38
CACNA1B Q00975 1/20 0.38
CACNA1C Q13936 1/20 0.38
SSTR4 P31391 1/20 0.37
HTR2A P28223 1/20 0.37
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
AAK1 Q2M2I8 3/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
GLS O94925 1/20 0.32
PDK2 Q15119 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL19948822 0.80 NPC1 (0.41) HCRTR1HCRTR2NPC1RAB9AMEN1
SCHEMBL29513990 0.80 AAK1 (0.35) SLC6A4SSTR4HCRTR1HCRTR2AAK1
SCHEMBL25345897 0.80 AAK1 (0.35) SLC6A4SSTR4HCRTR1HCRTR2AAK1
SCHEMBL29686229 0.78 HTR2C (0.42) HTR2CSLC6A4CACNA1GCACNA1BCACNA1C
SCHEMBL20177003 0.78 HTR2C (0.42) HTR2CSLC6A4CACNA1GCACNA1BCACNA1C
SCHEMBL1180650 0.78 SYK (0.36) SSTR4HCRTR1HCRTR2AAK1
SCHEMBL29899115 0.77 HTR2C (0.44) HTR2CSLC6A4CACNA1GCACNA1BCACNA1C
SCHEMBL23410434 0.77 HTR2C (0.44) HTR2CSLC6A4CACNA1GCACNA1BCACNA1C
SCHEMBL19948993 0.77 USP30 (0.45) HTR2CSLC6A4CACNA1GCACNA1BCACNA1C
SCHEMBL30152158 0.77 USP30 (0.45) HTR2CSLC6A4CACNA1GCACNA1BCACNA1C

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11542265-B2 Pyrazolopyrimidine compounds and uses thereof INCYTE CORPORATION (US) 2023-01-03 US disclosed
US-11542265-B2 Pyrazolopyrimidine compounds and uses thereof INCYTE CORPORATION (US) 2023-01-03 US disclosed
US-20210371425-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF INCYTE CORPORATION 2021-12-02 US disclosed
US-11014929-B2 Pyrazolopyrimidine compounds and uses thereof INCYTE CORPORATION (US) 2021-05-25 US disclosed
US-20200172545-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF INCYTE CORPORATION 2020-06-04 US disclosed
US-20180072741-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF INCYTE CORPORATION 2018-03-15 US disclosed
WO-2018049152-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS HPK1 MODULATORS AND USES THEREOF FOR THE TREATMENT OF CANCER INCYTE CORPORATION (US) 2018-03-15 WO disclosed
US-20180072741-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF INCYTE CORPORATION 2018-03-15 US 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 (5 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-20200172545-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF PDXK, PCK1, MAPKAPK5 HTR2C 4229/4885SLC6A4 2999/4885CACNA1G 4086/4885
US-20180072741-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF PDXK, PCK1, PDK2 HTR2C 4081/4885SLC6A4 4185/4885CACNA1G 4630/4885
US-11014929-B2 Pyrazolopyrimidine compounds and uses thereof PDXK, PCK1, MAPKAPK5 HTR2C 4229/4885SLC6A4 2999/4885CACNA1G 4086/4885
US-11542265-B2 Pyrazolopyrimidine compounds and uses thereof PDXK, PCK1, PDK2 HTR2C 4081/4885SLC6A4 4185/4885CACNA1G 4630/4885
US-20210371425-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF PDXK, PCK1, PDK2 HTR2C 4081/4885SLC6A4 4185/4885CACNA1G 4630/4885

“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.