SCHEMBL3450227

SCHEMBL3450227

COc1ccc(-c2cc(Nc3ccc(O)c(Cl)c3)nc(N)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.57
POLB P06746 1/20 0.57
GAA P10253 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
RAB9A P51151 1/20 0.52
AGPAT2 O15120 9/20 0.51
DYRK1A Q13627 1/20 0.50
TP53 P04637 1/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HSD17B10 Q99714 1/20 0.49
KDM4E B2RXH2 1/20 0.45
POLA1 P09884 1/20 0.45
ACP1 P24666 1/20 0.44
PDCD1 Q15116 1/20 0.44

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
SCHEMBL13110688 0.87 MAPT (0.58) MAPTPOLBGAASMN1; SMN2RAB9A
SCHEMBL3450546 0.84 AGPAT2 (0.70) MAPTPOLBSMN1; SMN2AGPAT2TP53
SCHEMBL13110691 0.78 AGPAT2 (0.55) MAPTPOLBGAASMN1; SMN2AGPAT2
SCHEMBL13110692 0.78 AGPAT2 (0.58) MAPTPOLBGAASMN1; SMN2RAB9A
SCHEMBL13110699 0.78 MAPT (0.58) MAPTPOLBGAASMN1; SMN2RAB9A
SCHEMBL6638296 0.78 AGPAT2 (0.58) MAPTPOLBGAASMN1; SMN2RAB9A
SCHEMBL5743347 0.78 AGPAT2 (0.57) MAPTPOLBGAASMN1; SMN2RAB9A
SCHEMBL13110690 0.77 AGPAT2 (0.57) MAPTPOLBGAASMN1; SMN2RAB9A
SCHEMBL5743353 0.77 RAB9A (0.52) MAPTPOLBGAASMN1; SMN2RAB9A
SCHEMBL13127078 0.77 AGPAT2 (0.57) MAPTPOLBGAASMN1; SMN2RAB9A

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
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
US-7820654-B2 Pyrimidine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2010-10-26 US disclosed
US-7820654-B2 Pyrimidine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2010-10-26 US disclosed
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 MAPT 4276/4885POLB 945/4885GAA 1452/4885

“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.