SCHEMBL1662824

SCHEMBL1662824

Cc1c(CO)cccc1N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 2/20 0.43
CD274 Q9NZQ7 2/20 0.43
HSD17B10 Q99714 2/20 0.43
ALOX15 P16050 1/20 0.43
PRKDC P78527 2/20 0.43
BRD4 O60885 2/20 0.43
BRD9 Q9H8M2 2/20 0.43
AKR1C3 P42330 2/20 0.42
NCF1 P14598 1/20 0.42
PIK3C2B O00750 1/20 0.42
PIK3CB P42338 1/20 0.41
CYP2A13 Q16696 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL21893748 0.85 PKM (0.51) HSD17B10ALOX15PRKDCBRD4BRD9
SCHEMBL671160 0.84 PKM (0.44) HSD17B10ALOX15PRKDCBRD4BRD9
SCHEMBL1715455 0.83 AKR1C3 (0.50) HSD17B10ALOX15PRKDCAKR1C3NCF1
SCHEMBL671134 0.81 LRRK2 (0.50) HSD17B10ALOX15PRKDCAKR1C3NCF1
SCHEMBL11094567 0.78 HSD17B10 (0.46) HSD17B10ALOX15PRKDCAKR1C3NCF1
SCHEMBL21893900 0.78 ADRB1 (0.62) HSD17B10ALOX15PRKDCAKR1C3MEN1
SCHEMBL15264253 0.76 AKR1C3 (0.45) AKR1C3CYP2A13MEN1KMT2AALDH1A1
SCHEMBL15651320 0.75 LGMN (0.49) HSD17B10ALOX15PRKDCAKR1C3NCF1
SCHEMBL4772127 0.75 MAPT (0.49) HSD17B10ALOX15PRKDCAKR1C3NCF1
SCHEMBL18509838 0.74 HSD17B10 (0.43) HSD17B10ALOX15PRKDCAKR1C3NCF1

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
CN-102666545-B As the heterocycle Pyrazolopyrimidine analogs of JAK inhibitor CELLZOME LTD. (GB) 2016-04-06 CN disclosed
US-9242987-B2 Heterocyclyl pyrazolopyrimidine analogues as JAK inhibitors CELLZOME LIMITED (GB) 2016-01-26 US disclosed
US-9040545-B2 Heterocyclyl pyrazolopyrimidine analogues as selective JAK inhibitors CELLZOME LIMITED (GB) 2015-05-26 US disclosed
US-20130190292-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS CELLZOME LIMITED (GB) 2013-07-25 US disclosed
US-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2012-10-04 US disclosed
CN-102666545-A Heterocyclyl pyrazolopyrimidine analogues as jak inhibitors CELLZOME LTD 2012-09-12 CN disclosed
EP-2491039-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS Cellzome Limited (GB) 2012-08-29 EP disclosed
WO-2011048082-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2011-04-28 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-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS JAK1, JAK3, JAK2 PDCD1 537/4885CD274 936/4885HSD17B10 4555/4885
US-20130190292-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS JAK1, JAK3, JAK2 PDCD1 651/4885CD274 1106/4885HSD17B10 4490/4885

“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.