SCHEMBL3425801

SCHEMBL3425801

Cn1nc2nc(Cl)[nH]c(=O)c2n1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.36
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ADORA2A P29274 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL3425451 0.66 PDE2A (0.31)
SCHEMBL3425371 0.64 GDA (0.49) ADORA3RAB9AADORA2AALDH1A1MAPT
SCHEMBL3427614 0.64 CDK1 (0.47) ADORA2AHPGD
SCHEMBL22119263 0.63 PDE5A (0.35)
SCHEMBL3427474 0.63 GDA (0.43) KDM4ERAB9AADORA2AALDH1A1MAPT
SCHEMBL17526407 0.62 ADORA2A (0.50) KDM4EADORA2AALDH1A1MAPTHPGD
SCHEMBL22326671 0.61 HPGD (0.43) HPGD
SCHEMBL3127667 0.59 PDE5A (0.61) KDM4EADORA2AALDH1A1HPGD
SCHEMBL20954788 0.59 TNKS (0.51)
SCHEMBL22901682 0.58 HPGD (0.43) HPGD

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-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
US-7550590-B2 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-23 US 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-20040242566-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-20040242568-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 ADORA3 574/4885KDM4E 2328/4885NPC1 2497/4885
US-20040242566-A1 Dipeptidyl peptidase inhibitors DPP9, DPP3, DPP4 ADORA3 378/4885KDM4E 2254/4885NPC1 635/4885
US-20040242568-A1 Dipeptidyl peptidase inhibitors DPP9, DPP4, DPP3 ADORA3 425/4885KDM4E 2122/4885NPC1 890/4885
US-20040259870-A1 Dipeptidyl peptidase inhibitors DPP9, DPP4, DPP3 ADORA3 387/4885KDM4E 2027/4885NPC1 872/4885

“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.