SCHEMBL4766008

SCHEMBL4766008

Cc1cc(=O)n(Cc2ccncc2)c(=O)n1Cc1ccncc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
TYMS P04818 1/20 0.49
LOXL2 Q9Y4K0 2/20 0.47
BRD4 O60885 1/20 0.46
HTT P42858 1/20 0.43
HPGD P15428 1/20 0.42
GRIN1 Q05586 4/20 0.40
GRIN2B Q13224 4/20 0.40
P2RX3 P56373 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GSK3B P49841 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
PDE5A O76074 1/20 0.39

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
SCHEMBL7835720 0.83 KMT2A (0.69) KMT2AMEN1HPGDKDM4EMAPK1
SCHEMBL4763601 0.80 P2RX3 (0.55) KMT2ALOXL2HPGDP2RX3KDM4E
SCHEMBL13932417 0.78 KMT2A (0.48) KMT2AMEN1LOXL2HTTHPGD
SCHEMBL4769071 0.78 ALDH1A1 (0.60) KMT2AMEN1TYMSKDM4EGSK3B
SCHEMBL4864080 0.75 TYMS (0.48) KMT2AMEN1TYMSHTTHPGD
SCHEMBL4483468 0.75 L3MBTL1 (0.60) KMT2AMEN1TYMSSMN1; SMN2
SCHEMBL4769449 0.74 KMT2A (0.44) KMT2AMEN1LOXL2HPGDKDM4E
SCHEMBL3248233 0.74 KDM4E (0.53) KMT2AMEN1TYMSLOXL2BRD4
SCHEMBL13407770 0.74 MEN1 (0.62) KMT2AMEN1TYMSBRD4GRIN1
SCHEMBL4763629 0.73 HTT (0.46) KMT2AMEN1TYMSHTTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678181-B1 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS INC (US) 2008-12-31 EP disclosed
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
US-20050119287-A1 A2B adenosine receptor antagonists GILEAD PALO ALTO, INC. 2005-06-02 US 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 KMT2A 1806/4885MEN1 4726/4885TYMS 1592/4885

“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.