SCHEMBL3450840

SCHEMBL3450840

COc1ccc(-c2nc(N)nc(N)c2-c2ccc(OC)c(Cl)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.52
ADORA2A P29274 3/20 0.52
HEXA P06865 1/20 0.48
HEXB P07686 1/20 0.48
PDCD1 Q15116 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
DHFR P00374 2/20 0.45
HRH4 Q9H3N8 1/20 0.44
KMT2A Q03164 1/20 0.44
HRH2 P25021 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
DYRK1A Q13627 1/20 0.43
PPARD Q03181 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL3449845 0.90 ADORA1 (0.65) ADORA1ADORA2AHRH4KMT2A
SCHEMBL3451799 0.90 ADORA2A (0.52) ADORA1ADORA2AHEXAHEXBPDCD1
SCHEMBL3450978 0.89 TSHR (0.51) ADORA1ADORA2AHEXAHEXBDHFR
SCHEMBL3451401 0.89 ADORA2A (0.51) ADORA1ADORA2AHRH4
SCHEMBL3450725 0.86 ADORA1 (0.49) ADORA1ADORA2AHEXAHEXBDHFR
SCHEMBL3451639 0.85 HEXA (0.48) ADORA1ADORA2AHEXAHEXBDHFR
SCHEMBL3452763 0.84 PTGS2 (0.56) ADORA1ADORA2ADHFR
SCHEMBL4535505 0.81 HRH4 (0.47) ADORA1ADORA2ADHFRHRH4
SCHEMBL3450769 0.80 ADORA1 (0.52) ADORA1ADORA2AKMT2ADYRK1A
SCHEMBL27631638 0.79 ADORA2A (0.53) ADORA1ADORA2ADHFRHRH4KMT2A

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
EP-1796673-A2 NOVEL PYRIMIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM Reddy US Therapeutics, Inc. (US) 2007-06-20 EP claimed
US-20060084645-A1 Novel pyrimidine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2006-04-20 US claimed
WO-2006034473-A2 NOVEL PYRIMIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM REDDY US THERAPEUTICS, INC. (US) 2006-03-30 WO claimed
US-7820654-B2 Pyrimidine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2010-10-26 US disclosed
EP-1796673-A2 NOVEL PYRIMIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM Reddy US Therapeutics, Inc. (US) 2007-06-20 EP disclosed
US-20060084645-A1 Novel pyrimidine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2006-04-20 US disclosed
WO-2006034473-A2 NOVEL PYRIMIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM REDDY US THERAPEUTICS, INC. (US) 2006-03-30 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-20060084645-A1 Novel pyrimidine compounds, process for their preparation and compositions containing them UMPS, DPYD, TYMS ADORA1 2067/4885ADORA2A 1490/4885HEXA 523/4885

“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.