SCHEMBL3096527

SCHEMBL3096527

NCc1c(-c2ccc(F)cc2F)ncn1Cc1ccc(F)cc1F

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.41
TGFBR1 P36897 4/20 0.39
IDO1 P14902 2/20 0.39
AGXT P21549 2/20 0.39
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLC29A1 Q99808 1/20 0.37
MAPK14 Q16539 4/20 0.35
KIT P10721 1/20 0.35
PPARG P37231 1/20 0.34
NSD2 O96028 1/20 0.34
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM5B Q9UGL1 1/20 0.33

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
SCHEMBL3087715 0.91 DPP4 (0.39) DPP4TGFBR1KDM4E
SCHEMBL3096790 0.91 DPP4 (0.40) DPP4TGFBR1IDO1AGXTSLC29A1
SCHEMBL3096196 0.90 CNR1 (0.36) DPP4KDM4ESMN1; SMN2SLC29A1
SCHEMBL3090731 0.90 P2RX7 (0.39) DPP4TGFBR1SMN1; SMN2KIT
SCHEMBL3089834 0.87 CNR1 (0.43) DPP4SMN1; SMN2CYP2C19
SCHEMBL3096357 0.87 DPP4 (0.41) DPP4TGFBR1SMN1; SMN2MAPK14KIT
SCHEMBL3087445 0.86 DPP4 (0.37) DPP4TGFBR1SLC29A1MAPK14KIT
SCHEMBL3091396 0.86 KDM4C (0.43) DPP4TGFBR1MAPK14MAPK13MAPK12
SCHEMBL3103140 0.85 DPP4 (0.40) DPP4TGFBR1SMN1; SMN2
SCHEMBL3096387 0.84 CDK9 (0.43) DPP4MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7728146-B2 Enzyme inhibitors PROBIODRUG AG (DE) 2010-06-01 US claimed
US-20100234397-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2010-09-16 US disclosed
US-20100234397-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2010-09-16 US disclosed
US-20100234397-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2010-09-16 US disclosed
US-7728146-B2 Enzyme inhibitors PROBIODRUG AG (DE) 2010-06-01 US disclosed
US-7728146-B2 Enzyme inhibitors PROBIODRUG AG (DE) 2010-06-01 US disclosed
US-7728146-B2 Enzyme inhibitors PROBIODRUG AG (DE) 2010-06-01 US disclosed
US-20070244177-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2007-10-18 US disclosed
US-20070244177-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2007-10-18 US disclosed
US-20070244177-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2007-10-18 US disclosed
WO-2007116092-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2007-10-18 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 (2 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-20070244177-A1 ENZYME INHIBITORS ACHE, BACE1, MAOA DPP4 147/4885TGFBR1 860/4885IDO1 263/4885
US-20100234397-A1 ENZYME INHIBITORS ACHE, MAOA, BACE1 DPP4 372/4885TGFBR1 937/4885IDO1 182/4885

“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.