SCHEMBL5068313

SCHEMBL5068313

COc1c(C(=O)O)c(C)nc2cc(C)nn12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.40
HSD17B10 Q99714 3/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 2/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 1/20 0.37
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 2/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35
GAA P10253 1/20 0.35
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL5068805 0.84 MAPT (0.53) KDM4EHSD17B10HPGDALDH1A1SMN1; SMN2
SCHEMBL5071803 0.81 CYP1A2 (0.47) KDM4EHSD17B10LMNAHPGDALDH1A1
SCHEMBL25114093 0.76 KDM4E (0.41) KDM4EHSD17B10LMNAHPGDALDH1A1
SCHEMBL2755156 0.72 HPGD (0.48) KDM4EHSD17B10HPGDALDH1A1CYP1A2
SCHEMBL21201118 0.69 AURKA (0.55) KDM4EHSD17B10HPGDALDH1A1SMN1; SMN2
SCHEMBL8249377 0.69 KDM4E (0.44) KDM4EHSD17B10HPGDALDH1A1SMN1; SMN2
SCHEMBL5068802 0.69 AURKA (0.55) KDM4EHSD17B10LMNAHPGDALDH1A1
SCHEMBL8308002 0.68 KDM4E (0.56) KDM4ELMNAHPGDALDH1A1CYP1A2
SCHEMBL21816155 0.68 PIK3CG (0.45) KDM4EHSD17B10LMNAHPGDALDH1A1
SCHEMBL5066763 0.68 POLB (0.45) KDM4EHSD17B10LMNAHPGDALDH1A1

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
EP-1595866-B1 Cyanopyrrolidines useful for the treatment of inter alia metabolic syndrome SANWA KAGAKU KENKYUSHO CO (JP) 2016-06-08 EP disclosed
US-7345180-B2 Compound inhibiting dipeptidyl peptidase IV SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2008-03-18 US disclosed
US-20060229286-A1 Compound inhibiting dipeptidyl peptidase IV SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2006-10-12 US disclosed
EP-1595866-A1 COMPOUND INHIBITING DIPEPTIDYL PEPTIDASE IV Sanwa Kagaku Kenkyusho Co., Ltd. (JP) 2005-11-16 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-20060229286-A1 Compound inhibiting dipeptidyl peptidase IV DPP4, DPP3, DPP7 KDM4E 2352/4885HSD17B10 369/4885LMNA 4436/4885

“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.