SCHEMBL19948822

SCHEMBL19948822

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
KDM4E B2RXH2 7/20 0.35
ALDH1A1 P00352 4/20 0.35
TDP1 Q9NUW8 3/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
NPY1R P25929 1/20 0.33
NPY2R P49146 1/20 0.33
POLB P06746 2/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.32

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
SCHEMBL19961237 0.80 HTR2C (0.41) NPC1RAB9AHCRTR1HCRTR2KMT2A
SCHEMBL27878661 0.77 AGBL2 (0.44) HCRTR1HCRTR2KDM4EALDH1A1TDP1
SCHEMBL19739531 0.74 ALDH1A1 (0.44) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL4441091 0.73 HCRTR1 (0.34) NPC1RAB9AHCRTR1HCRTR2KDM4E
SCHEMBL30907566 0.73 HCRTR1 (0.39) NPC1RAB9AHCRTR1HCRTR2KDM4E
SCHEMBL23410546 0.73 KDM4E (0.46) NPC1RAB9AKDM4EALDH1A1TDP1
SCHEMBL19949147 0.73 GSK3A (0.32)
SCHEMBL16804955 0.72 DHFR (0.38) NPC1RAB9AHCRTR1HCRTR2ALDH1A1
SCHEMBL30907546 0.72 HCRTR1 (0.39) NPC1RAB9AHCRTR1HCRTR2KDM4E
SCHEMBL6486053 0.70 HCRTR1 (0.37) NPC1RAB9AHCRTR1HCRTR2CYP1A2

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-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

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 NPC1 938/4885RAB9A 2168/4885HCRTR1 4704/4885
US-20180072741-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF PDXK, PCK1, PDK2 NPC1 779/4885RAB9A 2944/4885HCRTR1 4675/4885
US-11014929-B2 Pyrazolopyrimidine compounds and uses thereof PDXK, PCK1, MAPKAPK5 NPC1 938/4885RAB9A 2168/4885HCRTR1 4704/4885
US-11542265-B2 Pyrazolopyrimidine compounds and uses thereof PDXK, PCK1, PDK2 NPC1 779/4885RAB9A 2944/4885HCRTR1 4675/4885
US-20210371425-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF PDXK, PCK1, PDK2 NPC1 779/4885RAB9A 2944/4885HCRTR1 4675/4885

“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.