SCHEMBL3096019

SCHEMBL3096019

NCc1c(-c2ccc(F)cc2Cl)ncn1Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.45
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CDK9 P50750 9/20 0.39
GRM2 Q14416 1/20 0.39
BCL2L2 Q92843 1/20 0.39
HSD11B1 P28845 1/20 0.38
CSNK2A1 P68400 1/20 0.37
TNF P01375 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37

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
SCHEMBL3595937 0.93 CDK9 (0.46) CDK9
SCHEMBL3088769 0.93 CDK9 (0.39) DPP4MEN1KMT2ACDK9GRM2
SCHEMBL3100277 0.90 DPP4 (0.39) DPP4CDK9GRM2CYP11B1CYP11B2
SCHEMBL3103140 0.89 DPP4 (0.40) DPP4CDK9GRM2BCL2L2TNF
SCHEMBL3096548 0.89 CDK9 (0.42) MEN1KMT2ACDK9
SCHEMBL3594489 0.88 MEN1 (0.38) DPP4MEN1KMT2ACDK9GRM2
SCHEMBL3088999 0.88 WDR5 (0.40) DPP4CDK9GRM2
SCHEMBL3604333 0.88 KDM4C (0.44) DPP4MEN1KMT2AHSD11B1
SCHEMBL3079559 0.88 DPP4 (0.51) DPP4
SCHEMBL3092256 0.87 CNR1 (0.39) DPP4GRM2HSD11B1

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 10 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
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 147/4885MEN1 2732/4885KMT2A 1760/4885
US-20100234397-A1 ENZYME INHIBITORS ACHE, MAOA, BACE1 DPP4 372/4885MEN1 2776/4885KMT2A 2106/4885

“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.