SCHEMBL3455589

SCHEMBL3455589

Nc1nc(-c2ccco2)c(-c2ccncc2)c(-c2ccco2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 14/20 0.55
ADORA1 P30542 10/20 0.55
ADORA2B P29275 3/20 0.50
PIK3R1 P27986 1/20 0.49
PIK3CA P42336 1/20 0.49
NPC1 O15118 1/20 0.49
TSHR P16473 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
THRB P10828 1/20 0.48
PKM P14618 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48

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
SCHEMBL3455110 0.93 ADORA2A (0.58) ADORA2AADORA1ADORA2BPIK3R1PIK3CA
SCHEMBL5453909 0.92 DHFR (0.51) ADORA2AADORA1ADORA2BPIK3R1PIK3CA
SCHEMBL13942226 0.90 ADORA2A (0.49) ADORA2AADORA1ADORA2BPIK3R1PIK3CA
SCHEMBL3456020 0.90 ADORA2A (0.52) ADORA2AADORA1ADORA2BPIK3R1PIK3CA
Hydrochloric Acid SCHEMBL3455706 0.89 ADORA2A (0.48) ADORA2AADORA1ADORA2BPIK3R1PIK3CA
SCHEMBL5452125 0.86 ADORA2A (0.46) ADORA2AADORA1ADORA2BPIK3R1PIK3CA
SCHEMBL13967003 0.85 ADORA2A (0.43) ADORA2AADORA1ADORA2BPIK3R1PIK3CA
SCHEMBL3455545 0.84 ADORA2A (0.54) ADORA2AADORA1ADORA2BPIK3R1PIK3CA
SCHEMBL3456160 0.83 ADORA2A (0.51) ADORA2AADORA1ADORA2BKDM4EMEN1
SCHEMBL3455309 0.83 ADORA2A (0.43) ADORA2AADORA1ADORA2BPIK3R1PIK3CA

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 9 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 claimed
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-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
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.