SCHEMBL1662789

SCHEMBL1662789

COCCOC(=O)c1cccc(OCCOC)c1C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.63
MAPT P10636 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
POLB P06746 1/20 0.47
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
KDM4E B2RXH2 3/20 0.43
LMNA P02545 2/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 1/20 0.42
HPGD P15428 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
KMT2A Q03164 1/20 0.42
RELA Q04206 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP2D6 P10635 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP2C9 P11712 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
SCHEMBL7977563 0.85 KDM4E (0.56) TSHRMAPTL3MBTL1POLBALDH1A1
SCHEMBL23748669 0.82 TSHR (0.66) TSHRMAPTL3MBTL1POLBALDH1A1
SCHEMBL11252714 0.82 KDM4E (0.43) TSHRMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL28701055 0.80 TSHR (0.61) TSHRMAPTL3MBTL1POLBALDH1A1
SCHEMBL9078373 0.80 TSHR (0.65) TSHRL3MBTL1POLBALDH1A1SMN1; SMN2
SCHEMBL24087412 0.79 LMNA (0.51) TSHRMAPTL3MBTL1POLBALDH1A1
SCHEMBL23748659 0.79 ALDH1A1 (0.68) TSHRMAPTL3MBTL1POLBALDH1A1
SCHEMBL186285 0.78 TSHR (1.00) TSHRL3MBTL1POLBALDH1A1SMN1; SMN2
SCHEMBL29389335 0.78 TSHR (1.00) TSHRL3MBTL1POLBALDH1A1SMN1; SMN2
SCHEMBL24087477 0.78 TSHR (0.58) TSHRMAPTL3MBTL1POLBALDH1A1

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
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-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 (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 TSHR 2253/4885MAPT 4393/4885L3MBTL1 3597/4885

“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.