SCHEMBL12049704

SCHEMBL12049704

CNC(=O)Nc1ccc(OC)nc1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.68
MEN1 O00255 8/20 0.68
PABPC1 P11940 5/20 0.68
POLB P06746 2/20 0.63
MAPT P10636 3/20 0.63
KDM4E B2RXH2 2/20 0.63
USP2 O75604 1/20 0.63
RAB9A P51151 5/20 0.61
NPC1 O15118 4/20 0.61
ALDH1A1 P00352 3/20 0.61
LMNA P02545 2/20 0.61
HTT P42858 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.56

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
SCHEMBL27954455 0.84 KMT2A (0.69) KMT2AMEN1PABPC1POLBMAPT
SCHEMBL31129249 0.83 KMT2A (0.67) KMT2AMEN1PABPC1POLBMAPT
SCHEMBL10404298 0.83 KMT2A (0.67) KMT2AMEN1PABPC1POLBMAPT
SCHEMBL50309 0.83 KMT2A (0.67) KMT2AMEN1PABPC1POLBMAPT
SCHEMBL3761569 0.83 KMT2A (0.68) KMT2AMEN1PABPC1POLBMAPT
SCHEMBL27954458 0.83 KMT2A (0.68) KMT2AMEN1PABPC1POLBMAPT
SCHEMBL27954436 0.81 KMT2A (0.62) KMT2AMEN1PABPC1POLBMAPT
SCHEMBL27954485 0.81 NPC1 (0.63) KMT2AMEN1PABPC1POLBMAPT
SCHEMBL22773569 0.81 KMT2A (0.65) KMT2AMEN1PABPC1POLBMAPT
Hydrochloric Acid SCHEMBL38658753 0.81 KMT2A (0.66) KMT2AMEN1PABPC1POLBMAPT

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
CN-101022810-A Novel biaromatic compounds which activate peroxisome proliferator activated receptor-like receptors and their use in cosmetic or pharmaceutical compositions GALDERMA RES & DEV (FR) 2007-08-22 CN claimed
US-8071565-B2 Purine derivatives as a2a agonists NOVARTIS AG (CH) 2011-12-06 US disclosed
US-8071565-B2 Purine derivatives as a2a agonists NOVARTIS AG (CH) 2011-12-06 US disclosed
US-20100240680-A1 Purine derivatives as a2a agonists NOVARTIS AG (CH) 2010-09-23 US disclosed
US-20100240680-A1 Purine derivatives as a2a agonists NOVARTIS AG (CH) 2010-09-23 US disclosed
EP-1889846-A1 Purine derivatives as A2a agonists Novartis AG (CH) 2008-02-20 EP disclosed
WO-2008006563-A1 PURINE DERIVATIVES AS A2A AGONISTS NOVARTIS AG (CH) 2008-01-17 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-20100240680-A1 Purine derivatives as a2a agonists ADORA2A, ADORA1, ADORA3 KMT2A 4032/4885MEN1 3817/4885PABPC1 990/4885

“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.