SCHEMBL6093318

SCHEMBL6093318

COc1ccc(Cn2c(N)c(N)c(=O)[nH]c2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
MAPT P10636 4/20 0.56
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
KDM4E B2RXH2 6/20 0.51
HPGD P15428 4/20 0.50
TYMS P04818 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
GAA P10253 2/20 0.49
TLR7 Q9NYK1 1/20 0.49
HTT P42858 1/20 0.49
PNP P00491 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALOX15 P16050 1/20 0.47
CMA1 P23946 1/20 0.47
MAPK1 P28482 1/20 0.47
USP2 O75604 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MTNR1A P48039 1/20 0.47

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
SCHEMBL1958344 0.86 MEN1 (0.55) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL8579118 0.86 DAO (0.58) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL7761656 0.86 KMT2A (0.61) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL9412486 0.84 ALDH1A1 (0.51) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL8578124 0.84 ALDH1A1 (0.51) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL8577647 0.84 DAO (0.52) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL1945491 0.82 KDM4E (0.66) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL18207522 0.81 ALDH1A1 (0.56) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL6093649 0.79 KDM4E (0.80) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL7969932 0.77 MTNR1A (0.76) ALDH1A1MAPTKMT2AMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7005430-B2 Fused purine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-02-28 US disclosed
EP-1251130-B1 FUSED PURINE DERIVATIVES KYOWA HAKKO KOGYO KK (JP) 2005-02-16 EP disclosed
US-20030176698-A1 Fused purine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-09-18 US disclosed
EP-1251130-A1 FUSED PURINE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-10-23 EP disclosed
US-5719279-A CHOLINOMIMETICS BOEHRINGER INGELHEIM KG (DE) 1998-02-17 US disclosed
EP-0654033-A1 ASYMMETRICALLY SUBSTITUTED XANTHINE WITH ADENOSINE-ANTAGONISTIC PROPERTIES BOEHRINGER INGELHEIM KG (DE) 1995-05-24 EP disclosed
WO-1994003456-A1 ASYMMETRICALLY SUBSTITUTED XANTHINE WITH ADENOSINE-ANTAGONISTIC PROPERTIES BOEHRINGER INGELHEIM KG (DE) 1994-02-17 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-20030176698-A1 Fused purine derivatives PNP, NSUN2, CYP2W1 ALDH1A1 2392/4885MAPT 4798/4885KMT2A 2404/4885

“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.