SCHEMBL3103140

SCHEMBL3103140

NCc1c(-c2ccc(F)cc2F)ncn1Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.40
BCL2L2 Q92843 1/20 0.39
GRM2 Q14416 1/20 0.38
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
TGFBR1 P36897 2/20 0.38
TNF P01375 1/20 0.38
GRK2 P25098 1/20 0.38
CDK9 P50750 4/20 0.37
ADORA2A P29274 2/20 0.37
ADORA1 P30542 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MMP13 P45452 1/20 0.36
PI4KA P42356 1/20 0.36
PI4K2B Q8TCG2 1/20 0.36
PI4K2A Q9BTU6 1/20 0.36
PI4KB Q9UBF8 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
SCHEMBL3096357 0.92 DPP4 (0.41) DPP4GRM2CYP11B1CYP11B2TGFBR1
SCHEMBL3096387 0.91 CDK9 (0.43) DPP4BCL2L2CYP11B1CYP11B2CDK9
SCHEMBL3096019 0.89 DPP4 (0.45) DPP4BCL2L2GRM2CYP11B1CYP11B2
SCHEMBL3096481 0.87 PKM (0.42) DPP4CYP11B1CYP11B2TGFBR1CDK9
SCHEMBL3087715 0.86 DPP4 (0.39) DPP4BCL2L2TGFBR1ADORA2AADORA1
SCHEMBL3091396 0.86 KDM4C (0.43) DPP4TGFBR1
SCHEMBL3102807 0.85 TAAR1 (0.41)
SCHEMBL3096527 0.85 DPP4 (0.41) DPP4TGFBR1SMN1; SMN2
SCHEMBL3088784 0.84 HPGD (0.43) BCL2L2ADORA2AADORA1MMP13
SCHEMBL3082412 0.84 ALDH1A1 (0.43) DPP4TGFBR1SMN1; SMN2

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 147/4885BCL2L2 4168/4885GRM2 299/4885
US-20100234397-A1 ENZYME INHIBITORS ACHE, MAOA, BACE1 DPP4 372/4885BCL2L2 3933/4885GRM2 624/4885

“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.