SCHEMBL4564489

SCHEMBL4564489

CCOC(=O)c1c(N)c(C#N)c(N2CCCC(NC(=O)OC(C)(C)C)C2)n1Cc1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BTK Q06187 3/20 0.46
JAK3 P52333 2/20 0.46
DPP4 P27487 6/20 0.42
RET P07949 1/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAP4K4 O95819 2/20 0.39
DRD2 P14416 2/20 0.37
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PDE10A Q9Y233 1/20 0.36
PADI4 Q9UM07 1/20 0.36
EGFR P00533 1/20 0.36
LCK P06239 1/20 0.36

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 1.00 BTK (0.46) BTKJAK3DPP4RETALDH1A1
SCHEMBL3899520 0.90 DPP4 (0.48) BTKJAK3DPP4RETMAP4K4
SCHEMBL13647410 0.85 DPP4 (0.48) DPP4ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL3898815 0.84 DPP4 (0.47) DPP4ALDH1A1KDM4E
SCHEMBL5441204 0.83 MAP4K4 (0.46) BTKJAK3DPP4ALDH1A1KDM4E
SCHEMBL5433576 0.80 BTK (0.45) BTKJAK3DPP4ALDH1A1KDM4E
SCHEMBL5428408 0.80 BTK (0.45) BTKJAK3DPP4ALDH1A1KDM4E
SCHEMBL920704 0.80 DPP4 (0.44) BTKJAK3DPP4RETMAP4K4
SCHEMBL13647350 0.79 DPP4 (0.56) BTKJAK3DPP4
SCHEMBL13647353 0.77 DPP4 (0.49) BTKJAK3DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090192129-A1 BICYCLIC PYRROLE DERIVATIVES DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-07-30 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 (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-20080318922-A1 Bicyclic Pyrrole Derivatives DPP4, DPP7, DPP3 BTK 4063/4885JAK3 1785/4885DPP4 1/4885
US-20090192129-A1 BICYCLIC PYRROLE DERIVATIVES DPP4, DPP7, DPP3 BTK 3962/4885JAK3 1535/4885DPP4 1/4885

“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.