SCHEMBL6902950

SCHEMBL6902950

O=c1[nH]c(=O)c2cc3nc[nH]c3cc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 1/20 0.45
MAPT P10636 2/20 0.43
APEX1 P27695 1/20 0.43
RECQL P46063 1/20 0.43
BLM P54132 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ACHE P22303 1/20 0.41
GDA Q9Y2T3 1/20 0.41
PARP1 P09874 4/20 0.39
CA12 O43570 3/20 0.39
CA9 Q16790 3/20 0.39
MAT2A P31153 1/20 0.39
PDE5A O76074 1/20 0.38
PNP P00491 1/20 0.38
PDPK1 O15530 1/20 0.37
ALOX15 P16050 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37

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
SCHEMBL9703253 0.76 MAPT (0.50) KDM4EALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL9704471 0.74 MAPT (0.48) KDM4EALDH1A1SMN1; SMN2MAPTAPEX1
SCHEMBL13948933 0.74 MKNK1 (0.60) KDM4EALDH1A1SMN1; SMN2MAPTAPEX1
SCHEMBL19574781 0.72 KDM4E (0.47) KDM4EALDH1A1MAPTAPEX1RECQL
SCHEMBL12445185 0.72 MAPT (0.65) KDM4EALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL7076189 0.71 MKNK1 (0.56) KDM4EALDH1A1SMN1; SMN2MAPTAPEX1
SCHEMBL14511179 0.70 MAPT (0.68) KDM4EALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL31156527 0.69 MAPKAPK2 (0.51) KDM4EALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL1257032 0.69 MAPKAPK2 (0.51) KDM4EALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL15430823 0.69 AHR (0.57) KDM4EALDH1A1MAPTAPEX1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040152659-A1 Method for the treatment of parkinson's disease comprising administering an A1A2a receptor dual antagonist FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2004-08-05 US claimed
EP-1177797-A9 NOVEL USE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-05-15 EP claimed
EP-1177797-A1 NOVEL USE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-02-06 EP claimed
WO-2018049535-A1 NUCLEOSIDE ANALOGUES AND METHODS OF USE THEREOF LCB PHARMA INC. (CA) 2018-03-22 WO disclosed
US-20040152659-A1 Method for the treatment of parkinson's disease comprising administering an A1A2a receptor dual antagonist FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2004-08-05 US disclosed
EP-1177797-A9 NOVEL USE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-05-15 EP disclosed
EP-1177797-A1 NOVEL USE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-02-06 EP disclosed
EP-0880353-A4 COMPOSITIONS AND METHODS FOR MODULATING MELANIN PRODUCTION THERASYS INC (US) 2001-04-18 EP disclosed
US-5998423-A IN SKIN OR HAIR; ADMINISTERING ADENOSINE RECEPTOR ANTAGONIST THERASYS, INC. (US) 1999-12-07 US disclosed
EP-0880353-A1 COMPOSITIONS AND METHODS FOR MODULATING MELANIN PRODUCTION Therasys, Inc. (US) 1998-12-02 EP disclosed
WO-1998015276-A1 COMPOSITIONS AND METHODS FOR MODULATING MELANIN PRODUCTION THERASYS, INC. (US) 1998-04-16 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 (1 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-20040152659-A1 Method for the treatment of parkinson's disease comprising administering an A1A2a receptor dual antagonist ADORA2A, ADORA1, ADORA2B KDM4E 4617/4885ALDH1A1 336/4885SMN1; SMN2 377/4885

“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.