SCHEMBL3100277

SCHEMBL3100277

NCc1c(-c2ccc(F)cc2Cl)ncn1Cc1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
KCNH2 Q12809 1/20 0.38
MDM4 O15151 1/20 0.38
MDM2 Q00987 1/20 0.38
CDK9 P50750 1/20 0.38
DPP8 Q6V1X1 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CNR1 P21554 3/20 0.37
GRM2 Q14416 1/20 0.37
NSD2 O96028 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
SCHEMBL3088769 0.95 CDK9 (0.39) DPP4GAAPKMHPGDMAPT
SCHEMBL3096840 0.93 DPP4 (0.46) DPP4GAAPKMHPGDMAPT
SCHEMBL3091238 0.92 MDM2 (0.40) DPP4MDM4MDM2CDK9CNR1
SCHEMBL3088999 0.91 WDR5 (0.40) DPP4CDK9MAPK1HTTSMN1; SMN2
SCHEMBL3594489 0.91 MEN1 (0.38) DPP4KCNH2CDK9CYP11B1CYP11B2
SCHEMBL3096019 0.90 DPP4 (0.45) DPP4CDK9CYP11B1CYP11B2GRM2
SCHEMBL3091375 0.90 DPP4 (0.47) DPP4KCNH2MDM4MDM2DPP8
SCHEMBL3595937 0.88 CDK9 (0.46) CDK9
SCHEMBL3092355 0.87 DPP4 (0.42) DPP4PKMMAPTDPP8MAPK1
SCHEMBL3089159 0.87 CNR1 (0.40) DPP4MAPTDPP8CNR1

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 147/4885GAA 4/4885PKM 786/4885
US-20100234397-A1 ENZYME INHIBITORS ACHE, MAOA, BACE1 DPP4 372/4885GAA 5/4885PKM 847/4885

“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.