SCHEMBL5742433

SCHEMBL5742433

CCCn1c(=O)nc(N[C@@H](CO)Cc2ccccc2)c2[nH]c(-c3ccccc3)cc21

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 19/20 0.49
ADORA2A P29274 16/20 0.49
ADORA1 P30542 5/20 0.49
ADORA3 P0DMS8 4/20 0.49

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
SCHEMBL5785083 0.85 KDM4E (0.41) ADORA2BADORA2AADORA1ADORA3
SCHEMBL6095274 0.76 ADORA1 (0.44) ADORA2BADORA2AADORA1ADORA3
SCHEMBL6094301 0.73 ADORA3 (0.39) ADORA2BADORA2AADORA1ADORA3
SCHEMBL5742210 0.73 ADORA2B (0.60) ADORA2BADORA2AADORA1ADORA3
SCHEMBL5741468 0.71 ADORA3 (0.41) ADORA2BADORA2AADORA1ADORA3
SCHEMBL5741227 0.69 ADORA2B (0.68) ADORA2BADORA2AADORA1ADORA3
SCHEMBL6095002 0.67 ADORA1 (0.50) ADORA2BADORA2AADORA1ADORA3
SCHEMBL6094990 0.67 ADORA1 (0.50) ADORA2BADORA2AADORA1ADORA3
SCHEMBL5741274 0.66 ADORA3 (0.39) ADORA2BADORA2AADORA1ADORA3
SCHEMBL8705703 0.62

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060252780-A1 Fused pyrimidine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-11-09 US disclosed
EP-1637532-A1 FUSED PYRIMIDINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-03-22 EP 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-20060252780-A1 Fused pyrimidine derivatives INSR, GPR119, NPY4R ADORA2B 1074/4885ADORA2A 1417/4885ADORA1 1052/4885

“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.