SCHEMBL671167

SCHEMBL671167

Fc1c(CBr)cccc1N1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
HSD17B10 Q99714 2/20 0.48
HPGD P15428 2/20 0.48
KDM4E B2RXH2 1/20 0.48
CYP2A13 Q16696 3/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PKM P14618 1/20 0.38
LMNA P02545 1/20 0.38
AOC3 Q16853 1/20 0.38
AR P10275 1/20 0.37
ALOX15 P16050 2/20 0.37
LRRK2 Q5S007 1/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL27885794 0.88 ALDH1A1 (0.46) ALDH1A1HSD17B10HPGDKDM4ECYP2A13
SCHEMBL671134 0.84 LRRK2 (0.50) ALDH1A1HSD17B10HPGDKDM4ECYP2A13
SCHEMBL11964391 0.83 LMNA (0.47) ALDH1A1HSD17B10HPGDKDM4ECYP2A13
SCHEMBL22053016 0.78 ALDH1A1 (0.51) ALDH1A1HSD17B10HPGDKDM4ECYP2A13
SCHEMBL2317409 0.78 HSD17B10 (0.63) ALDH1A1HSD17B10HPGDKDM4ECYP2A13
SCHEMBL1663220 0.76 ALDH1A1 (0.53) ALDH1A1HSD17B10HPGDKDM4EKMT2A
SCHEMBL27885795 0.75 ALDH1A1 (0.46) ALDH1A1HSD17B10HPGDKDM4EKMT2A
SCHEMBL36944169 0.75 ALDH1A1 (0.51) ALDH1A1HSD17B10HPGDKDM4EKMT2A
SCHEMBL27921167 0.75 HPGD (0.51) ALDH1A1HSD17B10HPGDKDM4EKMT2A
SCHEMBL16943038 0.75 ALDH1A1 (0.51) ALDH1A1HSD17B10HPGDKDM4EKMT2A

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-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
EP-2606050-A2 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS Cellzome Limited (GB) 2013-06-26 EP disclosed
US-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2012-10-04 US disclosed
EP-2491039-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS Cellzome Limited (GB) 2012-08-29 EP disclosed
WO-2012022681-A2 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS CELLZOME LIMITED (GB) 2012-02-23 WO 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 ALDH1A1 2233/4885HSD17B10 4555/4885HPGD 1104/4885
US-20130190292-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS JAK1, JAK3, JAK2 ALDH1A1 2345/4885HSD17B10 4490/4885HPGD 1094/4885

“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.