SCHEMBL4864080

SCHEMBL4864080

Cc1cc(=O)n(Cc2ccncc2)c(=O)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.48
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
TLR7 Q9NYK1 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
GSK3B P49841 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PSMD14 O00487 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
PDE5A O76074 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL6243233 0.85 KMT2A (0.55) KMT2AMEN1TLR7SMN1; SMN2KDM4E
SCHEMBL4764015 0.81 KMT2A (0.69) KMT2AMEN1SMN1; SMN2KDM4EALDH1A1
SCHEMBL4762572 0.79 ALDH1A1 (0.63) TYMSKMT2AMEN1GSK3BKDM4E
SCHEMBL4765196 0.77 KMT2A (0.42) KMT2AMEN1TLR7SMN1; SMN2KDM4E
SCHEMBL5801672 0.76 L3MBTL1 (0.59) TYMSKMT2AMEN1POLB
SCHEMBL4766008 0.75 KMT2A (0.54) TYMSKMT2AMEN1SMN1; SMN2GSK3B
SCHEMBL4771370 0.73 ALDH1A1 (0.53) KMT2AMEN1SMN1; SMN2KDM4ETSHR
SCHEMBL4763627 0.73 MEN1 (0.44) TYMSKMT2AMEN1TLR7KDM4E
SCHEMBL7088588 0.73 ALDH1A1 (0.74) TYMSKMT2AMEN1TLR7SMN1; SMN2
SCHEMBL9420347 0.73 KMT2A (0.52) KMT2AMEN1KDM4EHPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7449473-B2 Substituted pyrrolo[3,2-d]pyrimidin-2,4-diones as A2b adenosine receptor antagonists CV THERAPEUTICS, INC. (US) 2008-11-11 US disclosed
EP-1678181-A2 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2006-07-12 EP disclosed
US-20050119287-A1 A2B adenosine receptor antagonists GILEAD PALO ALTO, INC. 2005-06-02 US disclosed
WO-2005042534-A2 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2005-05-12 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-20050119287-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA3 TYMS 1592/4885KMT2A 1806/4885MEN1 4726/4885

“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.