SCHEMBL920704

SCHEMBL920704

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 8/20 0.44
MAP4K4 O95819 2/20 0.42
BTK Q06187 2/20 0.40
JAK3 P52333 2/20 0.40
KDM4D Q6B0I6 1/20 0.40
RET P07949 1/20 0.39
F10 P00742 1/20 0.38
AURKA O14965 3/20 0.38
PDPK1 O15530 3/20 0.38
AURKB Q96GD4 3/20 0.38
FAP Q12884 1/20 0.37
SYK P43405 1/20 0.37
EGFR P00533 1/20 0.37
LCK P06239 1/20 0.37

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
SCHEMBL12906394 0.93 DPP4 (0.45) DPP4MAP4K4BTKJAK3KDM4D
SCHEMBL919746 0.91 DPP4 (0.43) DPP4MAP4K4BTKJAK3KDM4D
SCHEMBL3899520 0.90 DPP4 (0.48) DPP4MAP4K4BTKJAK3KDM4D
SCHEMBL5434992 0.85 DPP4 (0.52) DPP4MAP4K4BTKJAK3KDM4D
SCHEMBL12906502 0.85 DPP4 (0.43) DPP4MAP4K4BTKJAK3KDM4D
SCHEMBL5433194 0.82 DPP4 (0.52) DPP4MAP4K4BTKJAK3KDM4D
SCHEMBL921182 0.81 DPP4 (0.47) DPP4MAP4K4BTKJAK3KDM4D
SCHEMBL12906374 0.81 DPP4 (0.46) DPP4MAP4K4BTKJAK3KDM4D
SCHEMBL3903838 0.80 BTK (0.46) DPP4MAP4K4BTKJAK3RET
SCHEMBL4564489 0.80 BTK (0.46) DPP4MAP4K4BTKJAK3RET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101970442-A Bicyclic pyrrole compound DAINIPPON SUMITOMO PHARMA CO 2011-02-09 CN disclosed
US-20110009433-A1 BICYCLIC PYRROLE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-01-13 US disclosed
US-20110009433-A1 BICYCLIC PYRROLE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-01-13 US disclosed
EP-2264034-A1 BICYCLIC PYRROLE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2010-12-22 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 (1 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-20110009433-A1 BICYCLIC PYRROLE COMPOUND HPD, DPYD, PPIP5K2 DPP4 907/4885MAP4K4 4554/4885BTK 4240/4885

“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.