SCHEMBL3456514

SCHEMBL3456514

Nc1ncc(-c2ccn(Cc3ccccn3)c(=O)c2)c(-c2ccco2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 16/20 0.52
ADORA1 P30542 10/20 0.52
ADORA2B P29275 4/20 0.52
ADORA3 P0DMS8 3/20 0.48
TLR7 Q9NYK1 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
NR4A1 P22736 1/20 0.37
APEX1 P27695 1/20 0.37
CASP1 P29466 1/20 0.37
PTPN7 P35236 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37

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
SCHEMBL3456049 0.87 ADORA2A (0.55) ADORA2AADORA1ADORA2BADORA3HSD17B10
SCHEMBL3457006 0.86 ADORA2A (0.53) ADORA2AADORA1ADORA2B
SCHEMBL3457651 0.84 ADORA2A (0.61) ADORA2AADORA1ADORA2BADORA3
SCHEMBL3455119 0.84 ADORA2A (0.52) ADORA2AADORA1ADORA2BADORA3
SCHEMBL3455253 0.84 ADORA2A (0.57) ADORA2AADORA1ADORA2BADORA3
SCHEMBL3456116 0.83 ADORA2A (0.52) ADORA2AADORA1ADORA2BKDM4EALDH1A1
SCHEMBL3456132 0.82 ADORA2A (0.59) ADORA2AADORA1ADORA2BADORA3
SCHEMBL3455080 0.82 ADORA2A (0.61) ADORA2AADORA1ADORA2BADORA3
SCHEMBL3457967 0.82 ADORA2A (0.56) ADORA2AADORA1ADORA2BADORA3
SCHEMBL3456888 0.82 ADORA2A (0.55) ADORA2AADORA1ADORA2B

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 11 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
CN-100519549-C Pyrimidine compounds and pharmaceutical compositions containing the same EISAI R&D MAN CO LTD (JP) 2009-07-29 CN 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
CN-1575290-A Pyrimidine derivatives and pharmaceutical compositions containing that compounds EISAI CO LTD (JP) 2005-02-02 CN disclosed
US-20050004149-A1 Pyrimidine compound and medicinal composition thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-01-06 US disclosed
EP-1439175-A1 PYRIMIDINE COMPOUND AND MEDICINAL COMPOSITION THEREOF Eisai Co., Ltd. (JP) 2004-07-21 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 (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.