SCHEMBL288876

SCHEMBL288876

CS(=O)(=O)c1cnc2c(c1)CCN2c1cc(Cl)ncn1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.39
GPR119 Q8TDV5 17/20 0.38
CYP11B2 P19099 1/20 0.36
CYP17A1 P05093 1/20 0.35

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
SCHEMBL288791 0.81 ROCK1 (0.61) ROCK1GPR119
SCHEMBL515082 0.79 ROCK1 (0.38) ROCK1GPR119
SCHEMBL288406 0.78 CYP17A1 (0.36) CYP17A1
SCHEMBL3238889 0.74 ROCK1 (0.40) ROCK1GPR119CYP17A1
SCHEMBL3231004 0.72 ROCK1 (0.38) ROCK1GPR119CYP17A1
SCHEMBL3238584 0.71 ROCK1 (0.47) ROCK1GPR119
SCHEMBL3238211 0.71 GPR119 (0.39) ROCK1GPR119CYP17A1
SCHEMBL3238555 0.71 ROCK1 (0.47) ROCK1GPR119
SCHEMBL758521 0.71 GPR119 (0.77) GPR119
SCHEMBL3241340 0.69 ROCK1 (0.45) ROCK1GPR119

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427450-A1 GPR 119 MODULATORS Pfizer Inc. (US) 2012-03-14 EP disclosed
EP-2427448-A1 Gpr 119 modulators Pfizer Inc. (US) 2012-03-14 EP disclosed
US-20120052130-A1 GPR 119 MODULATORS PFIZER INC. 2012-03-01 US disclosed
US-20120052130-A1 GPR 119 MODULATORS PFIZER INC. 2012-03-01 US disclosed
US-20120052130-A1 GPR 119 MODULATORS PFIZER INC. 2012-03-01 US disclosed
WO-2010128414-A1 GPR 119 MODULATORS PFIZER INC. (US) 2010-11-11 WO disclosed
WO-2010128414-A1 GPR 119 MODULATORS PFIZER INC. (US) 2010-11-11 WO disclosed
WO-2010128425-A1 GPR 119 MODULATORS PFIZER INC. (US) 2010-11-11 WO disclosed
WO-2010128425-A1 GPR 119 MODULATORS PFIZER INC. (US) 2010-11-11 WO disclosed
US-20100285145-A1 GPR 119 MODULATORS PFIZER INC 2010-11-11 US disclosed
US-20100285145-A1 GPR 119 MODULATORS PFIZER INC 2010-11-11 US disclosed
US-20100285145-A1 GPR 119 MODULATORS PFIZER INC 2010-11-11 US 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-20120052130-A1 GPR 119 MODULATORS GPR119, GPR39, GPR65 ROCK1 2922/4885GPR119 1/4885CYP11B2 517/4885
US-20100285145-A1 GPR 119 MODULATORS GPR119, GPR65, GPR39 ROCK1 2613/4885GPR119 1/4885CYP11B2 423/4885

“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.