SCHEMBL1663195

SCHEMBL1663195

Cn1cc(N)cc1C(=O)N1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.50
▸ AR P10275 4/20 0.45
▸ HTT P42858 2/20 0.44
▸ HPGD P15428 3/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ PHGDH O43175 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
SCHEMBL4476856 0.84 AR (0.47) HRH3ARHPGDTSHR
SCHEMBL26831785 0.83 HRH3 (0.51) HRH3ARHTTHPGDSMN1; SMN2
SCHEMBL14912963 0.74 SMN1; SMN2 (0.47) HTTHPGDSMN1; SMN2MAPTTSHR
SCHEMBL12513585 0.74 CD274 (0.57) HPGDTSHR
SCHEMBL20581159 0.73 TP53 (0.50) HRH3AR
SCHEMBL15695610 0.71 KDM4E (0.65) HPGDSMN1; SMN2MAPTTSHRPKM
SCHEMBL5655224 0.71 ALDH1A1 (0.69) HPGDSMN1; SMN2MAPTTSHR
SCHEMBL14733308 0.70 KDM4E (0.62) HPGDSMN1; SMN2MAPTTSHRPKM
SCHEMBL27316791 0.70 L3MBTL1 (0.45) HRH3ARHPGD
SCHEMBL13527129 0.70 CCNC (0.51) ARSMN1; SMN2PKM

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 HRH3 257/4885AR 4197/4885HTT 4097/4885

“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.

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