SCHEMBL674603

SCHEMBL674603

CCOC(=O)c1cccc(N2CCN(C(=O)O)C(C(C)(C)C)C2)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.46
ATM Q13315 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
ALOX15 P16050 1/20 0.44
NPY2R P49146 1/20 0.43
ALDH1A1 P00352 4/20 0.43
LMNA P02545 2/20 0.43
TSHR P16473 1/20 0.42
NR1H2 P55055 5/20 0.42
MAPT P10636 2/20 0.42
MAPK1 P28482 1/20 0.42
PRMT1 Q99873 1/20 0.41
NR1H3 Q13133 4/20 0.41
GAA P10253 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
SCHEMBL2333783 0.84 NR1H2 (0.43) ALOX5ALDH1A1LMNATSHRNR1H2
SCHEMBL6011450 0.81 ALDH1A1 (0.56) ALOX5ATMSMN1; SMN2ALOX15ALDH1A1
SCHEMBL29252729 0.80 AGTR2 (0.48) ALDH1A1TSHRNR1H2MAPK1NR1H3
SCHEMBL2224887 0.79 NR1H2 (0.45) NR1H2NR1H3
SCHEMBL11963285 0.78 NR1H2 (0.44) SMN1; SMN2NR1H2MAPTNR1H3
SCHEMBL3849915 0.76 MAPT (0.49) ALOX5ATMSMN1; SMN2NPY2RALDH1A1
SCHEMBL3100227 0.76 ATM (0.55) ALOX5ATMSMN1; SMN2ALOX15ALDH1A1
SCHEMBL14879672 0.75 ATM (0.56) ALOX5ATMSMN1; SMN2ALOX15ALDH1A1
SCHEMBL8698788 0.75 PLOD2 (0.56) ALOX5ATMSMN1; SMN2ALDH1A1LMNA
SCHEMBL6503786 0.75 ATM (0.54) ALOX5ATMSMN1; SMN2ALOX15ALDH1A1

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 ALOX5 328/4885ATM 1592/4885SMN1; SMN2 4699/4885
US-20130190292-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS JAK1, JAK3, JAK2 ALOX5 298/4885ATM 1636/4885SMN1; SMN2 4691/4885

“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.