SCHEMBL19948823

SCHEMBL19948823

CNC(=O)OCc1cc(C)c(Br)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 4/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
STAT3 P40763 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
KDM4E B2RXH2 2/20 0.34
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
POLB P06746 2/20 0.34
PKM P14618 1/20 0.33
GALR3 O60755 1/20 0.33

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
SCHEMBL20168330 0.76 HDAC1 (0.50) HDAC1HDAC8HDAC6HDAC5SMN1; SMN2
SCHEMBL16783064 0.74 ALDH1A1 (0.33) SMN1; SMN2LMNAHCRTR1HCRTR2KDM4E
SCHEMBL19874265 0.73 SMN1; SMN2 (0.43) SMN1; SMN2LMNATSHRMAPK1HCRTR1
SCHEMBL27878661 0.71 AGBL2 (0.44) ALOX15HCRTR1HCRTR2KDM4EPOLB
SCHEMBL30907566 0.71 HCRTR1 (0.39) SMN1; SMN2LMNAALOX15TSHRMAPK1
SCHEMBL16804955 0.70 DHFR (0.38) HCRTR1HCRTR2MAPTNPC1RAB9A
SCHEMBL20483536 0.70 SMN1; SMN2 (0.36) HDAC1HDAC8HDAC6HDAC5SMN1; SMN2
SCHEMBL1459777 0.68 NPC1 (0.43) LMNATSHRKDM4EKMT2APKM
SCHEMBL6486053 0.68 HCRTR1 (0.37) HCRTR1HCRTR2POLBMAPTNPC1
SCHEMBL20428637 0.68 HCRTR1 (0.38) SMN1; SMN2LMNAALOX15TSHRMAPK1

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 HDAC1 538/4885HDAC8 594/4885HDAC6 935/4885
US-20180072741-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF PDXK, PCK1, PDK2 HDAC1 896/4885HDAC8 786/4885HDAC6 1588/4885
US-11014929-B2 Pyrazolopyrimidine compounds and uses thereof PDXK, PCK1, MAPKAPK5 HDAC1 538/4885HDAC8 594/4885HDAC6 935/4885
US-11542265-B2 Pyrazolopyrimidine compounds and uses thereof PDXK, PCK1, PDK2 HDAC1 896/4885HDAC8 786/4885HDAC6 1588/4885
US-20210371425-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF PDXK, PCK1, PDK2 HDAC1 896/4885HDAC8 786/4885HDAC6 1588/4885

“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.