SCHEMBL3424707

SCHEMBL3424707

COc1cc2cnc[n+]([O-])c2cc1OC

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
PDGFRB P09619 5/20 0.35
PDGFRA P16234 5/20 0.35
MAOA P21397 2/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
NQO2 P16083 1/20 0.33
CYP3A4 P08684 1/20 0.33
MCL1 Q07820 1/20 0.33
PDE10A Q9Y233 4/20 0.33
TLR8 Q9NR97 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL5894227 0.73 CHEK1 (0.35)
SCHEMBL3738777 0.70 ACHE (0.42) ALDH1A1SMN1; SMN2KDM4EPDGFRBPDGFRA
SCHEMBL13313290 0.68 ACHE (0.39) ALDH1A1SMN1; SMN2KDM4ENQO2CYP3A4
SCHEMBL15859209 0.67 ENPP1 (0.41) ALDH1A1SMN1; SMN2KDM4EPDE10AGAA
SCHEMBL6770447 0.67
SCHEMBL1782763 0.65 KDM4E (0.44) ALDH1A1KDM4ECYP3A4GLAGAA
SCHEMBL1271246 0.64 MAOA (0.59) ALDH1A1SMN1; SMN2KDM4EPDGFRBPDGFRA
SCHEMBL11496731 0.64 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2KDM4EPDGFRBPDGFRA
SCHEMBL28203968 0.64 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2KDM4EPDGFRBPDGFRA
SCHEMBL9549005 0.64 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2KDM4EPDGFRBPDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107098863-B Preparation method of gefitinib 重庆莱美隆宇药业有限公司 2020-04-10 CN disclosed
WO-2013180403-A1 PROCESS FOR PREPARING GEFITINIB AND AN INTERMEDIATE USED FOR PREPARING THEREOF CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2013-12-05 WO 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
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-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
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

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 ALDH1A1 816/4885SMN1; SMN2 3765/4885KDM4E 2328/4885
US-20040242566-A1 Dipeptidyl peptidase inhibitors DPP9, DPP3, DPP4 ALDH1A1 1094/4885SMN1; SMN2 4527/4885KDM4E 2254/4885
US-20040242568-A1 Dipeptidyl peptidase inhibitors DPP9, DPP4, DPP3 ALDH1A1 1061/4885SMN1; SMN2 4426/4885KDM4E 2122/4885
US-20040259870-A1 Dipeptidyl peptidase inhibitors DPP9, DPP4, DPP3 ALDH1A1 917/4885SMN1; SMN2 4500/4885KDM4E 2027/4885

“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.