SCHEMBL3908323

SCHEMBL3908323

Cn1cnc2c(C(=O)O)c(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)n(Cc3cc(F)ccc3Cl)c2c1=O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 13/20 0.47
FAP Q12884 2/20 0.44
MAP4K4 O95819 2/20 0.43
RET P07949 1/20 0.41
JAK3 P52333 1/20 0.41
BTK Q06187 1/20 0.41
KDM4D Q6B0I6 1/20 0.39
SYK P43405 1/20 0.39
SUV39H2 Q9H5I1 1/20 0.38

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
SCHEMBL13647473 0.94 DPP4 (0.47) DPP4FAPMAP4K4RETJAK3
SCHEMBL3895080 0.94 DPP4 (0.47) DPP4FAPMAP4K4RETJAK3
SCHEMBL13647476 0.92 DPP4 (0.45) DPP4FAPMAP4K4RETJAK3
SCHEMBL13647478 0.91 DPP4 (0.44) DPP4FAPMAP4K4RETJAK3
SCHEMBL13647468 0.90 DPP4 (0.52) DPP4FAPRETJAK3BTK
SCHEMBL3897399 0.86 DPP4 (0.46) DPP4FAP
SCHEMBL13647479 0.85 DPP4 (0.58) DPP4FAPMAP4K4RETJAK3
SCHEMBL3897834 0.84 DPP4 (0.43) DPP4FAP
SCHEMBL921182 0.83 DPP4 (0.47) DPP4FAPMAP4K4JAK3BTK
SCHEMBL3898967 0.82 DPP4 (0.42) DPP4FAP

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
CN-101103032-B Bicyclic pyrrole derivatives DAINIPPON SUMITOMO PHARMA CO 2011-05-11 CN disclosed
US-7601728-B2 Bicyclic pyrrole derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-10-13 US disclosed
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-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-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
US-20080318922-A1 Bicyclic Pyrrole Derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-12-25 US disclosed
CN-101103032-A Bicyclic pyrrole derivatives DAINIPPON SUMITOMO PHARMA CO (JP) 2008-01-09 CN disclosed
EP-1829877-A1 BICYCLIC PYRROLE DERIVATIVES Dainippon Sumitomo Pharma Co., Ltd. (JP) 2007-09-05 EP 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 1/4885FAP 221/4885MAP4K4 1108/4885
US-20090192129-A1 BICYCLIC PYRROLE DERIVATIVES DPP4, DPP7, DPP3 DPP4 1/4885FAP 77/4885MAP4K4 876/4885
US-20090149483-A1 BICYCLIC PYRROLE DERIVATIVES DPP4, DPP7, DPP3 DPP4 1/4885FAP 77/4885MAP4K4 876/4885

“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.