SCHEMBL4218652

SCHEMBL4218652

CCOC(=O)c1c(N)c(C#N)cn1-c1ccccc1Cl

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.71
PDE4B Q07343 1/20 0.44
ALDH1A1 P00352 9/20 0.42
GRM6 O15303 1/20 0.41
HSD17B10 Q99714 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 3/20 0.40
GAA P10253 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 1/20 0.40
PPARG P37231 1/20 0.40
KMT2A Q03164 1/20 0.40
NCOA2 Q15596 1/20 0.40
NCOA1 Q15788 1/20 0.40
MAPK1 P28482 1/20 0.40
CLK1 P49759 1/20 0.39
CLK3 P49761 1/20 0.39
DYRK1A Q13627 1/20 0.39
GABRA2 P47869 2/20 0.39

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
SCHEMBL3063647 0.77 KDM4E (0.67) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL4531554 0.76 ALDH1A1 (0.48) KDM4EPDE4BALDH1A1GRM6HPGD
SCHEMBL28865786 0.76 KDM4E (0.77) KDM4EALDH1A1HSD17B10NPSR1POLB
SCHEMBL4373094 0.75 KDM4E (0.64) KDM4EALDH1A1HSD17B10POLBHPGD
SCHEMBL28676791 0.72 PDE4B (0.51) KDM4EPDE4BALDH1A1NPSR1POLB
SCHEMBL4530631 0.72 L3MBTL1 (0.45) KDM4EPDE4BALDH1A1NPSR1POLB
SCHEMBL30504026 0.69 GABRA2 (0.61) PDE4BALDH1A1GAAGABRA2GABRB2
SCHEMBL21314958 0.69 GABRA2 (0.61) PDE4BALDH1A1GAAGABRA2GABRB2
SCHEMBL28685593 0.69 PDE4B (0.50) PDE4BALDH1A1GABRA2GABRB2
SCHEMBL30350059 0.69 CYP11B2 (0.52) KDM4EPDE4BALDH1A1NPSR1POLB

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-20090192138-A1 COMPOUNDS BAESCHLIN DANIEL KASPAR 2009-07-30 US disclosed
EP-1966215-A1 CONDENSED HETEROCYCLIC COMPOUNDS USEFUL AS DPP-IV INHIBITORS Novartis AG (CH) 2008-09-10 EP disclosed
WO-2007071738-A1 CONDENSED HETEROCYCLIC COMPOUNDS USEFUL AS DPP-IV INHIBITORS NOVARTIS AG (CH) 2007-06-28 WO 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-20090192138-A1 COMPOUNDS DPP4, DPP3, DPP8 KDM4E 766/4885PDE4B 32/4885ALDH1A1 363/4885

“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.