SCHEMBL13647348

SCHEMBL13647348

CCOc1cccc(Oc2nc3c(C#N)c(N4CCC[C@@H](NC(=O)OC(C)(C)C)C4)n(Cc4ccccc4Cl)c3c(=O)n2C)c1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.46
RET P07949 1/20 0.44
JAK3 P52333 1/20 0.43
BTK Q06187 1/20 0.43
KCNH2 Q12809 2/20 0.40

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
SCHEMBL3899919 0.92 DPP4 (0.45) DPP4KCNH2
SCHEMBL13647346 0.86 DPP4 (0.54) DPP4KCNH2
SCHEMBL13647361 0.86 DPP4 (0.44) DPP4JAK3BTKKCNH2
SCHEMBL13647353 0.86 DPP4 (0.49) DPP4JAK3BTKKCNH2
Hydrochloric Acid SCHEMBL3897309 0.85 DPP4 (0.54) DPP4KCNH2
SCHEMBL13647422 0.84 DPP4 (0.47) DPP4JAK3BTKKCNH2
SCHEMBL13647355 0.84 DPP4 (0.47) DPP4JAK3BTKKCNH2
SCHEMBL13647350 0.81 DPP4 (0.56) DPP4JAK3BTKKCNH2
SCHEMBL13647417 0.79 DPP4 (0.53) DPP4RETJAK3BTK
SCHEMBL16313495 0.79 DPP4 (0.53) DPP4RETJAK3BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7601728-B2 Bicyclic pyrrole derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-10-13 US disclosed
US-20090192129-A1 BICYCLIC PYRROLE DERIVATIVES DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-07-30 US disclosed
US-20090149483-A1 BICYCLIC PYRROLE DERIVATIVES DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-06-11 US disclosed
US-20080318922-A1 Bicyclic Pyrrole Derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-12-25 US disclosed
EP-1829877-A1 BICYCLIC PYRROLE DERIVATIVES Dainippon Sumitomo Pharma Co., Ltd. (JP) 2007-09-05 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 (3 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-20080318922-A1 Bicyclic Pyrrole Derivatives DPP4, DPP7, DPP3 DPP4 1/4885RET 578/4885JAK3 1785/4885
US-20090192129-A1 BICYCLIC PYRROLE DERIVATIVES DPP4, DPP7, DPP3 DPP4 1/4885RET 298/4885JAK3 1535/4885
US-20090149483-A1 BICYCLIC PYRROLE DERIVATIVES DPP4, DPP7, DPP3 DPP4 1/4885RET 298/4885JAK3 1535/4885

“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.