SCHEMBL968528

SCHEMBL968528

Cc1nn(C)c(-n2ccc3ccc(Cl)cc32)c1C(CS(N)(=O)=O)S(N)(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.35
CDK2 P24941 1/20 0.35
ROCK1 Q13464 1/20 0.35
MAP3K14 Q99558 1/20 0.35
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33
MAPK10 P53779 1/20 0.33
KMO O15229 2/20 0.32
NPY5R Q15761 1/20 0.32
PIK3CD O00329 1/20 0.31
HTR6 P50406 1/20 0.31
MCHR1 Q99705 1/20 0.30

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
SCHEMBL964783 0.92 HTR2A (0.35) CDK2MAPK8MAPK9MAPK10NPY5R
SCHEMBL964710 0.86 CA2 (0.42) ROCK1HTR6
SCHEMBL963136 0.85 CDC7 (0.39) CDC7CDK2
SCHEMBL962741 0.84 PHGDH (0.37)
SCHEMBL963161 0.82 IRAK4 (0.32)
SCHEMBL966012 0.82 HTR2A (0.35) NPY5R
SCHEMBL962365 0.78 CDK2 (0.37) CDC7CDK2ROCK1MAP3K14MAPK8
SCHEMBL964354 0.77 L3MBTL1 (0.36) CDC7CDK2
SCHEMBL968529 0.75 CDC7 (0.38) CDC7CDK2ROCK1MAP3K14MAPK8
SCHEMBL968527 0.75 CDC7 (0.38) CDC7CDK2ROCK1MAP3K14MAPK8

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-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-13 US disclosed
EP-2118066-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA Takeda Pharmaceutical Company Limited (JP) 2009-11-18 EP disclosed
WO-2008099794-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-21 WO disclosed
US-20080194617-A1 Fused ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-14 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-20080194617-A1 Fused ring compound SLC5A1, SLC5A2, GPR119 CDC7 2245/4885CDK2 2555/4885ROCK1 2974/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG CDC7 4163/4885CDK2 2985/4885ROCK1 3736/4885

“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.