SCHEMBL963043

SCHEMBL963043

CCCCNS(=O)(=O)NC(=O)CCc1c(C)nn(C)c1-n1ccc2cccnc21

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRAF P15056 7/20 0.38
KMT2A Q03164 1/20 0.36
ENPP2 Q13822 1/20 0.36
MTNR1A P48039 1/20 0.35
ENPP3 O14638 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CXCR2 P25025 1/20 0.33
PANK1 Q8TE04 3/20 0.33
PANK3 Q9H999 3/20 0.33
TP53 P04637 2/20 0.33
ENPP1 P22413 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32

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
SCHEMBL964053 0.87 PPARG (0.38) BRAFKMT2AENPP2MTNR1AENPP3
SCHEMBL967854 0.84 ENPP3 (0.35) BRAFKMT2AENPP2MTNR1AENPP3
SCHEMBL961620 0.82 BRAF (0.38) BRAFMTNR1AENPP3ALDH1A1ENPP1
SCHEMBL961617 0.82 BRAF (0.38) BRAFMTNR1AENPP3ALDH1A1ENPP1
SCHEMBL966425 0.82 MTNR1A (0.37) BRAFKMT2AENPP2MTNR1AENPP3
SCHEMBL966561 0.80 MTNR1A (0.37) BRAFKMT2AENPP2MTNR1AENPP3
SCHEMBL5116348 0.79 BRAF (0.37) BRAFMTNR1AENPP3ENPP1
SCHEMBL5116334 0.79 BRAF (0.37) BRAFMTNR1AENPP3ENPP1
SCHEMBL966983 0.79 MTNR1A (0.37) BRAFKMT2AENPP2MTNR1AENPP3
SCHEMBL963933 0.79 NPC1 (0.42) KMT2AMTNR1APANK1PANK3TP53

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 2 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
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 BRAF 2412/4885KMT2A 1809/4885ENPP2 2566/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG BRAF 2850/4885KMT2A 2017/4885ENPP2 2139/4885

“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.