SCHEMBL8307398

SCHEMBL8307398

CCCCOCn1cnc2nc(Cl)n(Cc3ccccc3C#N)c(=O)c21

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
TP53 P04637 1/20 0.40
NPBWR1 P48145 1/20 0.38
DPP4 P27487 14/20 0.37
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
FAP Q12884 1/20 0.35
CYP3A4 P08684 2/20 0.34
HSD17B13 Q7Z5P4 1/20 0.34

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
SCHEMBL3428483 0.86 KMT2A (0.51) KMT2ATP53NPBWR1DPP4GRIN1
SCHEMBL8303417 0.86 KMT2A (0.41) KMT2ATP53NPBWR1DPP4GRIN1
SCHEMBL3424947 0.85 KMT2A (0.43) KMT2ATP53NPBWR1DPP4GRIN1
SCHEMBL3427403 0.80 KMT2A (0.63) KMT2ATP53NPBWR1DPP4GRIN1
SCHEMBL7046109 0.76 KMT2A (0.48) KMT2ATP53NPBWR1DPP4GRIN1
SCHEMBL3423598 0.72 KMT2A (0.48) KMT2ATP53NPBWR1DPP4GRIN1
SCHEMBL3427199 0.72 KMT2A (0.49) KMT2ANPBWR1DPP4GRIN1GRIN2B
SCHEMBL3423536 0.71 ADORA2A (0.42) KMT2ATP53DPP4GRIN1GRIN2B
SCHEMBL3424634 0.69 KMT2A (0.46) KMT2ANPBWR1DPP4GRIN1GRIN2B
SCHEMBL9928536 0.69 GAA (0.39) KMT2ACYP3A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20040242568-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2004-12-02 US disclosed
WO-2004087053-A2 DIPEPTIDYL PEPTIDASE INHIBITORS SYRRX, INC. (US) 2004-10-14 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 (1 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-20040242568-A1 Dipeptidyl peptidase inhibitors DPP9, DPP4, DPP3 KMT2A 4396/4885TP53 3499/4885NPBWR1 699/4885

“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.