SCHEMBL3029264

SCHEMBL3029264

CCC1(CC)N=C(c2ccc(F)cc2F)c2ccc(NS(C)(=O)=O)cc2O1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KIT P10721 6/20 0.43
NR3C2 P08235 7/20 0.41
BRD4 O60885 1/20 0.37
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
PGR P06401 2/20 0.36
NR3C1 P04150 1/20 0.36
KCNH2 Q12809 1/20 0.36
GSK3B P49841 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
SCHEMBL3029979 0.88 KIT (0.42) KITNR3C2BRD4ADRA1DADRA1A
SCHEMBL3027462 0.88 NR3C2 (0.43) KITNR3C2ADRA1DADRA1APGR
SCHEMBL12081720 0.86 KIT (0.45) KITNR3C2BRD4PGRNR3C1
SCHEMBL14670258 0.84 BRD4 (0.32) BRD4
SCHEMBL3025297 0.78 KIT (0.34) KIT
SCHEMBL14670417 0.77 BRD4 (0.36) KITNR3C2BRD4PGRNR3C1
SCHEMBL3027754 0.77 NR3C2 (0.45) KITNR3C2BRD4ADRA1DADRA1A
SCHEMBL3016982 0.76 NR3C2 (0.44) KITNR3C2BRD4PGRNR3C1
SCHEMBL12081777 0.75 BRD4 (0.45) KITNR3C2BRD4PGRNR3C1
SCHEMBL3011521 0.75 NR3C2 (0.39) KITNR3C2BRD4ADRA1DADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2179994-B1 FUSED BICYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2013-06-26 EP disclosed
US-8410166-B2 Fused bicyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-04-02 US disclosed
US-20130029979-A1 FUSED BICYCLIC COMPOUND TAKAHASHI YOICHI (JP) 2013-01-31 US disclosed
US-8258131-B2 Fused bicyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-09-04 US disclosed
US-8258131-B2 Fused bicyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-09-04 US disclosed
US-8258131-B2 Fused bicyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-09-04 US disclosed
US-20100204218-A1 FUSED BICYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-08-12 US disclosed
US-20100204218-A1 FUSED BICYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-08-12 US disclosed
US-20100204218-A1 FUSED BICYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-08-12 US disclosed
EP-2179994-A1 FUSED BICYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2010-04-28 EP 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-20130029979-A1 FUSED BICYCLIC COMPOUND NR3C2, NR3C1, MC2R KIT 988/4885NR3C2 1/4885BRD4 112/4885
US-20100204218-A1 FUSED BICYCLIC COMPOUND NR3C2, NR3C1, MC2R KIT 859/4885NR3C2 1/4885BRD4 105/4885

“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.