SCHEMBL3423536

SCHEMBL3423536

N#Cc1ccccc1Cn1c(Cl)nc2c(ncn2COCc2ccccc2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.42
KMT2A Q03164 1/20 0.41
DPP4 P27487 7/20 0.39
CYP3A4 P08684 6/20 0.39
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
TP53 P04637 1/20 0.37
EGLN3 Q9H6Z9 1/20 0.37
CTSL P07711 1/20 0.37
HSD17B13 Q7Z5P4 1/20 0.37
NOX4 Q9NPH5 1/20 0.37
PNP P00491 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35

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
SCHEMBL8303417 0.85 KMT2A (0.41) KMT2ADPP4CYP3A4GRIN1GRIN2B
SCHEMBL3424947 0.85 KMT2A (0.43) KMT2ADPP4CYP3A4GRIN1GRIN2B
SCHEMBL3423598 0.82 KMT2A (0.48) KMT2ADPP4CYP3A4GRIN1GRIN2B
SCHEMBL3428445 0.79 KMT2A (0.57) KMT2ADPP4CYP3A4GRIN1GRIN2B
SCHEMBL6016851 0.76 KMT2A (0.46) KMT2ADPP4CYP3A4GRIN1GRIN2B
SCHEMBL3423901 0.72 DPP4 (0.57) KMT2ADPP4CYP3A4NOX4
SCHEMBL8307398 0.71 KMT2A (0.43) KMT2ADPP4CYP3A4GRIN1GRIN2B
SCHEMBL3427896 0.70 GRIN1 (0.45) KMT2ADPP4CYP3A4GRIN1GRIN2B
SCHEMBL6522309 0.70 PNP (0.52) ADORA2ACYP3A4PNP
SCHEMBL3391420 0.69 DPP4 (0.60) KMT2ADPP4CYP3A4GRIN1GRIN2B

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
CN-1894234-A Dipeptidyl peptidase inhibitors SYRRX INC (JP) 2007-01-10 CN claimed
US-20050004117-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2005-01-06 US claimed
US-7687625-B2 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-30 US disclosed
US-7687625-B2 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-30 US disclosed
US-7550590-B2 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-23 US disclosed
US-7550590-B2 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-23 US disclosed
CN-1894234-A Dipeptidyl peptidase inhibitors SYRRX INC (JP) 2007-01-10 CN disclosed
US-20050004117-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2005-01-06 US disclosed
US-20040259870-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2004-12-23 US disclosed
US-20040242568-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2004-12-02 US disclosed
US-20040242568-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2004-12-02 US disclosed
US-20040242566-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2004-12-02 US disclosed
WO-2004087053-A9 DIPEPTIDYL PEPTIDASE INHIBITORS SYRRX INC (US) 2004-11-11 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 (4 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-20050004117-A1 Dipeptidyl peptidase inhibitors DPP9, DPP4, DPP3 ADORA2A 3048/4885KMT2A 4081/4885DPP4 2/4885
US-20040242566-A1 Dipeptidyl peptidase inhibitors DPP9, DPP3, DPP4 ADORA2A 3225/4885KMT2A 4443/4885DPP4 3/4885
US-20040242568-A1 Dipeptidyl peptidase inhibitors DPP9, DPP4, DPP3 ADORA2A 2893/4885KMT2A 4396/4885DPP4 2/4885
US-20040259870-A1 Dipeptidyl peptidase inhibitors DPP9, DPP4, DPP3 ADORA2A 2752/4885KMT2A 4306/4885DPP4 2/4885

“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.