SCHEMBL1662517

SCHEMBL1662517

Fc1ccccc1Cn1ncc2cnc(Cl)nc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 9/20 0.47
ADORA2A P29274 8/20 0.47
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
TRAP1 Q12931 1/20 0.39
ABL1 P00519 1/20 0.37
SRC P12931 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
SCHEMBL21846963 0.81 RECQL (0.54) ADORA1ADORA2AALDH1A1MAPTPKM
SCHEMBL12801998 0.78 ADORA2A (0.48) ADORA1ADORA2AALDH1A1MAPTADORA3
SCHEMBL13732188 0.78 STAT6 (0.52) ADORA1ADORA2AALDH1A1MAPTPKM
SCHEMBL6864690 0.77 ADORA2A (0.55) ADORA1ADORA2AALDH1A1MAPTPKM
SCHEMBL31738660 0.77 ADORA2A (0.55) ADORA1ADORA2AALDH1A1MAPTPKM
SCHEMBL25207251 0.77 ADORA2A (0.46) ADORA1ADORA2AALDH1A1MAPTPKM
SCHEMBL14676530 0.77 TSHR (0.43) ADORA1ADORA2AALDH1A1MAPTPKM
SCHEMBL12802032 0.76 YTHDC1 (0.53) ALDH1A1MEN1KMT2ACNR2
SCHEMBL25975962 0.76 ADORA2A (0.48) ADORA1ADORA2AALDH1A1MAPTPKM
SCHEMBL12796407 0.75 ADORA2A (0.40) ADORA1ADORA2AL3MBTL1LMNATP53

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 4 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-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-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 (1 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 ADORA1 1186/4885ADORA2A 1954/4885ALDH1A1 2233/4885

“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.