SCHEMBL3088280

SCHEMBL3088280

NCc1c(-c2ccc(F)cc2Cl)ncn1Cc1ccsc1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIRT5 Q9NXA8 1/20 0.34
CDK9 P50750 7/20 0.34
DPP4 P27487 5/20 0.34
HSP90AA1 P07900 1/20 0.32
HSP90B1 P14625 1/20 0.32
CDC7 O00311 1/20 0.32
DBF4 Q9UBU7 1/20 0.32
NSD2 O96028 1/20 0.32
GRM2 Q14416 1/20 0.32
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31

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
SCHEMBL3096472 0.89 DPP4 (0.41) DPP4HSP90AA1HSP90B1NSD2
SCHEMBL3088769 0.87 CDK9 (0.39) CDK9DPP4NSD2GRM2
SCHEMBL3096019 0.85 DPP4 (0.45) CDK9DPP4GRM2
SCHEMBL3100277 0.85 DPP4 (0.39) CDK9DPP4NSD2GRM2
SCHEMBL3594489 0.83 MEN1 (0.38) CDK9DPP4NSD2GRM2
SCHEMBL3088999 0.83 WDR5 (0.40) CDK9DPP4NSD2GRM2
SCHEMBL3595937 0.83 CDK9 (0.46) CDK9
SCHEMBL3091238 0.82 MDM2 (0.40) CDK9DPP4NSD2GRM2
SCHEMBL3078422 0.82 ALDH1A1 (0.38) DPP4GRM2
SCHEMBL3096840 0.81 DPP4 (0.46) DPP4

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 14 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
CN-101466685-A Enzyme inhibitors PROBIODRUG AG (DE) 2009-06-24 CN disclosed
EP-2007734-A1 ENZYME INHIBITORS Probiodrug AG (DE) 2008-12-31 EP 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
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 SIRT5 1483/4885CDK9 532/4885DPP4 147/4885
US-20100234397-A1 ENZYME INHIBITORS ACHE, MAOA, BACE1 SIRT5 1156/4885CDK9 479/4885DPP4 372/4885

“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.