SCHEMBL3424745

SCHEMBL3424745

NCc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.62
SMN1; SMN2 Q16637 3/20 0.60
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA9 Q16790 1/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
ALDH1A1 P00352 4/20 0.57
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
GAA P10253 2/20 0.57
MAPK1 P28482 2/20 0.57
KDM4E B2RXH2 2/20 0.57
CYP1A2 P05177 2/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2D6 P10635 2/20 0.57
CYP2C9 P11712 2/20 0.57
HPGD P15428 2/20 0.57
CYP2C19 P33261 2/20 0.57

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
SCHEMBL3428650 0.90 NPC1 (0.70) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL4394311 0.87 PDE10A (0.63) PDE10ASMN1; SMN2CA12CA1CA2
SCHEMBL1484185 0.86 ALDH1A1 (0.66) PDE10ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL451250 0.83 ALDH1A1 (0.76) PDE10ARAB9AALDH1A1KMT2AMEN1
SCHEMBL4958242 0.82 LMNA (0.80) PDE10ASMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL3424682 0.82 APAF1 (0.54) PDE10ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4397803 0.81 PDE10A (0.62) PDE10ASMN1; SMN2CA12CA1CA2
SCHEMBL3424613 0.81 ALDH1A1 (0.65) SMN1; SMN2NPC1RAB9AALDH1A1KMT2A
SCHEMBL7155727 0.79 SMN1; SMN2 (0.55) PDE10ASMN1; SMN2CA12CA1CA2
SCHEMBL4391482 0.78 MAPK1 (0.70) SMN1; SMN2NPC1ALDH1A1KMT2AMEN1

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 20 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-20040259870-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2004-12-23 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-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
CN-1894234-A Dipeptidyl peptidase inhibitors SYRRX INC (JP) 2007-01-10 CN disclosed
EP-1608317-A4 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2006-12-27 EP disclosed
EP-1608317-A2 DIPEPTIDYL PEPTIDASE INHIBITORS Takeda San Diego, Inc. (US) 2005-12-28 EP 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-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
WO-2004087053-A2 DIPEPTIDYL PEPTIDASE INHIBITORS SYRRX, INC. (US) 2004-10-14 WO 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 (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 PDE10A 817/4885SMN1; SMN2 3765/4885CA12 243/4885
US-20040242566-A1 Dipeptidyl peptidase inhibitors DPP9, DPP3, DPP4 PDE10A 2095/4885SMN1; SMN2 4527/4885CA12 246/4885
US-20040242568-A1 Dipeptidyl peptidase inhibitors DPP9, DPP4, DPP3 PDE10A 1154/4885SMN1; SMN2 4426/4885CA12 352/4885
US-20040259870-A1 Dipeptidyl peptidase inhibitors DPP9, DPP4, DPP3 PDE10A 1268/4885SMN1; SMN2 4500/4885CA12 366/4885

“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.