SCHEMBL3899520

SCHEMBL3899520

CCOC(=O)c1c(N)c(C#N)c(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cc(F)ccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.48
BTK Q06187 2/20 0.44
JAK3 P52333 1/20 0.44
RET P07949 1/20 0.42
KDM4D Q6B0I6 1/20 0.39
MAP4K4 O95819 2/20 0.37
F10 P00742 1/20 0.37
AURKA O14965 3/20 0.35
PDPK1 O15530 3/20 0.35
AURKB Q96GD4 3/20 0.35
DDR1 Q08345 2/20 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
SCHEMBL3903838 0.90 BTK (0.46) DPP4BTKJAK3RETMAP4K4
SCHEMBL4564489 0.90 BTK (0.46) DPP4BTKJAK3RETMAP4K4
SCHEMBL920704 0.90 DPP4 (0.44) DPP4BTKJAK3RETKDM4D
SCHEMBL5434992 0.84 DPP4 (0.52) DPP4BTKJAK3KDM4DMAP4K4
SCHEMBL919746 0.83 DPP4 (0.43) DPP4BTKJAK3RETKDM4D
SCHEMBL12906394 0.83 DPP4 (0.45) DPP4BTKJAK3RETKDM4D
SCHEMBL5433194 0.81 DPP4 (0.52) DPP4BTKJAK3RETKDM4D
SCHEMBL13647417 0.80 DPP4 (0.53) DPP4BTKJAK3RET
SCHEMBL13647468 0.79 DPP4 (0.52) DPP4BTKJAK3RET
SCHEMBL16313495 0.78 DPP4 (0.53) DPP4BTKJAK3RET

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
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
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 1/4885BTK 4063/4885JAK3 1785/4885
US-20090192129-A1 BICYCLIC PYRROLE DERIVATIVES DPP4, DPP7, DPP3 DPP4 1/4885BTK 3962/4885JAK3 1535/4885
US-20090149483-A1 BICYCLIC PYRROLE DERIVATIVES DPP4, DPP7, DPP3 DPP4 1/4885BTK 3962/4885JAK3 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.