SCHEMBL671893

SCHEMBL671893

CS(=O)(=O)Cc1cccc(N2CCOCC2)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AGXT P21549 1/20 0.57
KMO O15229 1/20 0.49
MTOR P42345 5/20 0.48
PIK3CA P42336 5/20 0.48
AKT1 P31749 2/20 0.46
LMNA P02545 1/20 0.46
DRD2 P14416 1/20 0.45
RORC P51449 3/20 0.44
CYP3A4 P08684 1/20 0.44
PKM P14618 1/20 0.44
TSHR P16473 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
PLOD2 O00469 1/20 0.43
PLOD3 O60568 1/20 0.43
PLOD1 Q02809 1/20 0.43

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
SCHEMBL671056 0.87 AGXT (0.58) AGXTKMOMTORPIK3CAAKT1
SCHEMBL3298047 0.86 PRMT6 (0.56) AGXTDRD2MEN1KMT2AHCRTR1
SCHEMBL3297964 0.86 PRMT6 (0.53) AGXTDRD2CYP3A4MEN1KMT2A
SCHEMBL23647776 0.85 AGXT (0.57) AGXTKMOMTORPIK3CAAKT1
SCHEMBL29866231 0.84 AGXT (0.56) AGXTKMOMTORPIK3CAAKT1
SCHEMBL3847276 0.82 HTR7 (0.54) DRD2CYP3A4
SCHEMBL670502 0.82 AGXT (0.64) AGXTKMOMTORLMNADRD2
SCHEMBL4507051 0.80 AGXT (0.65) AGXTKMOLMNAMEN1KMT2A
SCHEMBL15124907 0.77 AGXT (0.55) AGXTKMOMTORPIK3CAAKT1
SCHEMBL8189516 0.77 AGXT (0.61) AGXTKMOLMNAMEN1KMT2A

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-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
WO-2012022681-A2 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS CELLZOME LIMITED (GB) 2012-02-23 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-20130190292-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS JAK1, JAK3, JAK2 AGXT 2102/4885KMO 280/4885MTOR 225/4885

“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.