SCHEMBL3451799

SCHEMBL3451799

COc1ccc(-c2c(N)nc(N)nc2-c2ccc(C)cc2)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.52
ADORA1 P30542 1/20 0.52
HSP90AB1 P08238 1/20 0.44
HRH4 Q9H3N8 1/20 0.44
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HEXA P06865 1/20 0.42
HEXB P07686 1/20 0.42
MAOB P27338 1/20 0.41
DHFR P00374 1/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 1/20 0.40
HSP90AA1 P07900 1/20 0.40
DHPS P49366 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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) ADORA2AADORA1HRH4MAPTALDH1A1
SCHEMBL3450840 0.90 ADORA1 (0.52) ADORA2AADORA1HRH4PDCD1CD274
SCHEMBL3451401 0.89 ADORA2A (0.51) ADORA2AADORA1HSP90AB1HRH4KDM4E
SCHEMBL3450725 0.86 ADORA1 (0.49) ADORA2AADORA1HSP90AB1HRH4HEXA
SCHEMBL3450978 0.84 TSHR (0.51) ADORA2AADORA1HRH4HPGDSMN1; SMN2
SCHEMBL3452763 0.84 PTGS2 (0.56) ADORA2AADORA1DHFR
SCHEMBL4535505 0.84 HRH4 (0.47) ADORA2AADORA1HSP90AB1HRH4DHFR
SCHEMBL3450769 0.80 ADORA1 (0.52) ADORA2AADORA1
SCHEMBL27631638 0.79 ADORA2A (0.53) ADORA2AADORA1HSP90AB1HRH4POLB
SCHEMBL3451766 0.76 ADORA1 (0.60) ADORA2AADORA1HRH4MAPTALDH1A1

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 ADORA2A 1490/4885ADORA1 2067/4885HSP90AB1 3432/4885

“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.