SCHEMBL3089977

SCHEMBL3089977

COc1ccccc1Cn1cnc(-c2ccc(Cl)cc2Cl)c1CN

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L2 Q92843 3/20 0.50
DPP4 P27487 7/20 0.48
YTHDC1 Q96MU7 1/20 0.44
P2RX7 Q99572 1/20 0.43
DPP8 Q6V1X1 3/20 0.42
CYP3A4 P08684 2/20 0.42
DPP9 Q86TI2 1/20 0.42
ADORA2A P29274 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL3084277 0.91 DPP4 (0.43) BCL2L2DPP4YTHDC1DPP8CYP3A4
SCHEMBL3595101 0.88 DPP4 (0.43) BCL2L2DPP4DPP8CYP3A4DPP9
SCHEMBL3092340 0.87 DPP4 (0.42) BCL2L2DPP4P2RX7DPP8HSD17B13
SCHEMBL3084580 0.87 DPP4 (0.49) DPP4P2RX7DPP8CYP3A4
SCHEMBL3091146 0.86 DPP4 (0.46) DPP4P2RX7DPP8CYP3A4DPP9
SCHEMBL3601694 0.84 BCL2L2 (0.45) BCL2L2DPP4YTHDC1P2RX7DPP8
SCHEMBL3087663 0.84 CNR1 (0.47) DPP4DPP8CYP3A4MAPK1ALDH1A1
SCHEMBL3605962 0.83 DPP4 (0.41) BCL2L2DPP4YTHDC1DPP8
SCHEMBL3088192 0.83 DPP4 (0.46) DPP4P2RX7DPP8CYP3A4CYP1A2
SCHEMBL3103130 0.82 DPP4 (0.45) DPP4P2RX7DPP8CYP3A4TAAR1

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 13 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
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 BCL2L2 4168/4885DPP4 147/4885YTHDC1 4870/4885
US-20100234397-A1 ENZYME INHIBITORS ACHE, MAOA, BACE1 BCL2L2 3933/4885DPP4 372/4885YTHDC1 4873/4885

“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.