SCHEMBL3456963

SCHEMBL3456963

Nc1nc(-c2ccco2)c(-c2ccc(OCc3ccccc3)nc2)c(-c2ccco2)n1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 19/20 0.47
ADORA1 P30542 12/20 0.46
ADORA2B P29275 3/20 0.44
ADORA3 P0DMS8 2/20 0.43
LOXL2 Q9Y4K0 1/20 0.43

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
SCHEMBL2972538 0.87 ADORA2A (0.51) ADORA2AADORA1ADORA2BADORA3LOXL2
SCHEMBL1553832 0.75 ADORA2A (0.49) ADORA2AADORA1ADORA2B
SCHEMBL7147379 0.74 ADORA2A (0.49) ADORA2AADORA1ADORA2BADORA3
SCHEMBL7144843 0.74 ADORA2A (0.49) ADORA2AADORA1ADORA2BADORA3
SCHEMBL7147811 0.74 ADORA2A (0.52) ADORA2AADORA1ADORA2BADORA3
SCHEMBL7147989 0.73 NUDT1 (0.53) ADORA2AADORA1ADORA2BADORA3
SCHEMBL5046632 0.71 ADORA2A (0.62) ADORA2AADORA1ADORA2BADORA3
SCHEMBL5039831 0.70 MGMT (0.65) ADORA2AADORA1
SCHEMBL4108170 0.70 LOXL2 (0.42) ADORA2AADORA1LOXL2
SCHEMBL3455266 0.70 ADORA2A (0.47) ADORA2AADORA1ADORA2BADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2246344-A1 Pyrimidine compounds and medicinal composition thereof Eisai R&D Management Co., Ltd. (JP) 2010-11-03 EP disclosed
US-20090030023-A1 PYRIMIDINE COMPOUNDS AND MEDICINAL COMPOSITION THEREOF HARADA HITOSHI 2009-01-29 US disclosed
US-20090030023-A1 PYRIMIDINE COMPOUNDS AND MEDICINAL COMPOSITION THEREOF HARADA HITOSHI 2009-01-29 US disclosed
US-20090030023-A1 PYRIMIDINE COMPOUNDS AND MEDICINAL COMPOSITION THEREOF HARADA HITOSHI 2009-01-29 US disclosed
US-7396836-B2 Pyrimidine compound and medicinal composition thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-07-08 US disclosed
US-7396836-B2 Pyrimidine compound and medicinal composition thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-07-08 US disclosed
US-7396836-B2 Pyrimidine compound and medicinal composition thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-07-08 US disclosed
US-20050004149-A1 Pyrimidine compound and medicinal composition thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-01-06 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 (2 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-20090030023-A1 PYRIMIDINE COMPOUNDS AND MEDICINAL COMPOSITION THEREOF CBR3, AHR, HCCS ADORA2A 539/4885ADORA1 328/4885ADORA2B 307/4885
US-20050004149-A1 Pyrimidine compound and medicinal composition thereof ADORA2B, ADORA2A, ADORA3 ADORA2A 2/4885ADORA1 4/4885ADORA2B 1/4885

“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.