SCHEMBL3892647

SCHEMBL3892647

CC(C)Cc1nc2ccc(O)cc2c(-c2cccc(F)c2)c1C#N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.49
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ADORA1 P30542 3/20 0.39
ADORA2B P29275 2/20 0.39
ADORA2A P29274 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
ESRRB O95718 1/20 0.38
ESRRA P11474 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
PIK3CD O00329 4/20 0.37
PIK3CA P42336 2/20 0.37
PIK3CB P42338 2/20 0.37
PIK3CG P48736 2/20 0.37
PIP4K2A P48426 1/20 0.37
GRIA2 P42262 1/20 0.36
GRIA4 P48058 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
SCHEMBL3895289 0.88 DPP4 (0.48) DPP4KDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL3905676 0.88 DPP4 (0.46) DPP4KDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL3899817 0.83 DPP4 (0.49) DPP4KDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL3896047 0.82 SMN1; SMN2 (0.39) DPP4KDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL3906977 0.81 DPP4 (0.75) DPP4
SCHEMBL3907014 0.81 KDM4E (0.38) DPP4KDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL3904443 0.79 KDM4E (0.40) DPP4KDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL3892021 0.79 KDM4E (0.42) DPP4KDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL3893249 0.78 KDM4E (0.41) DPP4KDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL3906128 0.74 DPP4 (0.43) DPP4KDM4EADORA1ADORA2BADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7547710-B2 Fused heterocyclic compounds as peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-16 US disclosed
EP-1527049-B8 FUSED HETEROCYCLIC COMPOUNDS AS PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2008-10-29 EP disclosed
EP-1527049-B1 FUSED HETEROCYCLIC COMPOUNDS AS PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2008-07-16 EP disclosed
US-20060135530-A1 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-22 US disclosed
EP-1527049-A2 FUSED HETEROCYCLIC COMPOUNDS AS PEPTIDASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2005-05-04 EP disclosed
WO-2004014860-A2 FUSED HETEROCYCLIC COMPOUNDS AS PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-02-19 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-20060135530-A1 Fused heterocyclic compounds NR4A3, DPP3, INSR DPP4 13/4885KDM4E 2412/4885HPGD 1469/4885

“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.