SCHEMBL3424682

SCHEMBL3424682

NCc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 1/20 0.54
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 3/20 0.52
LMNA P02545 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
HPGD P15428 1/20 0.52
CYP2C19 P33261 1/20 0.52
IDO1 P14902 1/20 0.51
TDO2 P48775 1/20 0.51
IDO2 Q6ZQW0 1/20 0.51
HTT P42858 1/20 0.50
POLB P06746 2/20 0.48
MAPT P10636 2/20 0.48
MAPK1 P28482 1/20 0.48
GAA P10253 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46

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
SCHEMBL3424613 0.87 ALDH1A1 (0.65) KMT2AMEN1KDM4EALDH1A1LMNA
SCHEMBL3424745 0.82 PDE10A (0.62) KMT2AMEN1KDM4EALDH1A1LMNA
SCHEMBL11699510 0.81 POLB (0.70) APAF1KDM4EALDH1A1LMNAIDO1
SCHEMBL4582221 0.78 ALDH1A1 (0.70) KDM4EALDH1A1LMNAHPGDTDO2
SCHEMBL3428650 0.77 NPC1 (0.70) KMT2AMEN1KDM4EALDH1A1LMNA
SCHEMBL4393532 0.75 ALDH1A1 (0.63) KMT2AMEN1KDM4EALDH1A1LMNA
SCHEMBL9336360 0.75 MEN1 (0.63) APAF1KMT2AMEN1KDM4EALDH1A1
SCHEMBL14767392 0.74 HIF1A (0.68) KMT2AMEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL734850 0.73 KDM4E (0.50) KMT2AMEN1KDM4EALDH1A1LMNA
SCHEMBL10518038 0.73 APAF1 (0.52) APAF1KMT2AMEN1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1608317-A4 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2006-12-27 EP claimed
EP-1608317-A2 DIPEPTIDYL PEPTIDASE INHIBITORS Takeda San Diego, Inc. (US) 2005-12-28 EP claimed
US-20040259870-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2004-12-23 US claimed
WO-2004087053-A9 DIPEPTIDYL PEPTIDASE INHIBITORS SYRRX INC (US) 2004-11-11 WO claimed
WO-2004087053-A2 DIPEPTIDYL PEPTIDASE INHIBITORS SYRRX, INC. (US) 2004-10-14 WO 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
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-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 APAF1 929/4885KMT2A 4081/4885MEN1 3905/4885
US-20040242566-A1 Dipeptidyl peptidase inhibitors DPP9, DPP3, DPP4 APAF1 737/4885KMT2A 4443/4885MEN1 3872/4885
US-20040242568-A1 Dipeptidyl peptidase inhibitors DPP9, DPP4, DPP3 APAF1 676/4885KMT2A 4396/4885MEN1 4054/4885
US-20040259870-A1 Dipeptidyl peptidase inhibitors DPP9, DPP4, DPP3 APAF1 708/4885KMT2A 4306/4885MEN1 4254/4885

“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.