SCHEMBL9678451

SCHEMBL9678451

Cc1cc(O)n2nc(N)nc2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.55
ALDH1A1 P00352 5/20 0.55
HPGD P15428 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MAPK1 P28482 1/20 0.53
HSD17B10 Q99714 1/20 0.53
HTT P42858 2/20 0.50
BRD4 O60885 3/20 0.48
RECQL P46063 1/20 0.41
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
CHEK1 O14757 1/20 0.37
MET P08581 1/20 0.37
LTK P29376 1/20 0.37
CDK9 P50750 1/20 0.37
PRKX P51817 1/20 0.37
LRRK2 Q5S007 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
PIK3CG P48736 1/20 0.37
CYP1A2 P05177 1/20 0.36

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
SCHEMBL4613719 0.82 L3MBTL1 (0.46) ALDH1A1HPGDSMN1; SMN2MAPK1HTT
SCHEMBL10558826 0.81 RECQL (0.61) KDM4EALDH1A1HPGDSMN1; SMN2MAPK1
SCHEMBL9785934 0.81 RECQL (0.43) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL19194473 0.79 KDM4E (0.39) KDM4EALDH1A1HPGDSMN1; SMN2MAPK1
SCHEMBL9678782 0.78 KDM4E (0.60) KDM4EALDH1A1HPGDSMN1; SMN2MAPK1
SCHEMBL6262968 0.78 RECQL (0.41) KDM4EALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL9678974 0.78 ALDH1A1 (0.55) KDM4EALDH1A1HPGDSMN1; SMN2MAPK1
SCHEMBL9139590 0.77 RECQL (0.53) KDM4EALDH1A1SMN1; SMN2HTTRECQL
SCHEMBL25331349 0.75 KDM4E (0.37) KDM4EALDH1A1HPGDSMN1; SMN2MAPK1
SCHEMBL1681608 0.75 RECQL (0.54) KDM4EALDH1A1HTTRECQLKMT2A

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-10357481-B2 Substituted triazolo bicyclic compounds as PDE2 inhibitors MERCK SHARP & DOHME CORP. (US) 2019-07-23 US disclosed
US-10357481-B2 Substituted triazolo bicyclic compounds as PDE2 inhibitors MERCK SHARP & DOHME CORP. (US) 2019-07-23 US disclosed
US-20180169072-A1 SUBSTITUTED TRIAZOLO BICYCLIC COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME LLC 2018-06-21 US disclosed
US-20180169072-A1 SUBSTITUTED TRIAZOLO BICYCLIC COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME LLC 2018-06-21 US disclosed
US-20180169072-A1 SUBSTITUTED TRIAZOLO BICYCLIC COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME LLC 2018-06-21 US disclosed
WO-2017003894-A1 SUBSTITUTED TRIAZOLO BICYCLIC COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-01-05 WO disclosed
WO-2017000277-A1 SUBSTITUTED TRIAZOLO BICYCLICCOMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-01-05 WO disclosed
US-7981207-B2 Dye compound and ink containing dye compound CANON KABUSHIKI KAISHA (JP) 2011-07-19 US disclosed
US-20090293765-A1 DYE COMPOUND AND INK CONTAINING DYE COMPOUND CANON KABUSHIKI KAISHA (JP) 2009-12-03 US disclosed
EP-0150507-B1 CEPHALOSPORIN DERIVATIVES, PROCESSES FOR PRODUCING THE SAME AND COMPOSITIONS CONTAINING THEM MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1992-08-05 EP disclosed
US-5064953-A INTERMEDIATES CEPHALOSPORIN DERIVATIVES MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1991-11-12 US disclosed
US-4888332-A ANTIBIOTICS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1989-12-19 US disclosed
EP-0150507-A2 Cephalosporin derivatives, processes for producing the same and compositions containing them MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1985-08-07 EP 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 (2 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-20180169072-A1 SUBSTITUTED TRIAZOLO BICYCLIC COMPOUNDS AS PDE2 INHIBITORS PDE2A, PDE3A, PDE4D KDM4E 2962/4885ALDH1A1 1376/4885HPGD 167/4885
US-10357481-B2 Substituted triazolo bicyclic compounds as PDE2 inhibitors PDE2A, PDE3A, PDE4D KDM4E 2962/4885ALDH1A1 1376/4885HPGD 167/4885

“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.