SCHEMBL4219958

SCHEMBL4219958

COc1cccc(C(=O)Cn2c(=O)c3c(c(C#N)c(Br)n3Cc3ccccc3)n(C)c2=O)c1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 8/20 0.68
KCNH2 Q12809 4/20 0.68
SMN1; SMN2 Q16637 2/20 0.51
MAPK1 P28482 2/20 0.51
TSHR P16473 2/20 0.51
MAPT P10636 2/20 0.45
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.45
RAB9A P51151 1/20 0.45
CDYL2 Q8N8U2 3/20 0.43
CDY1; CDY1B Q9Y6F8 3/20 0.43
CBX7 O95931 2/20 0.43
CDYL Q9Y232 2/20 0.43
GAA P10253 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL8237707 0.84 DPP4 (0.76) DPP4KCNH2
SCHEMBL8236794 0.82 DPP4 (0.80) DPP4KCNH2
SCHEMBL4228520 0.81 DPP4 (1.00) DPP4KCNH2
Hydrochloric Acid SCHEMBL4226150 0.81 DPP4 (0.79) DPP4KCNH2
SCHEMBL4233821 0.81 DPP4 (1.00) DPP4KCNH2
SCHEMBL4228513 0.81 DPP4 (1.00) DPP4KCNH2
SCHEMBL4226153 0.77 DPP4 (0.58) DPP4KCNH2SMN1; SMN2MAPK1TSHR
SCHEMBL8231465 0.73 DPP4 (0.85) DPP4KCNH2
SCHEMBL4230730 0.73 DPP4 (0.94) DPP4KCNH2MAPK1
SCHEMBL13780194 0.72 DPP4 (1.00) DPP4KCNH2

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 DPP4 1/4885KCNH2 1859/4885SMN1; SMN2 2888/4885

“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.