SCHEMBL6133738

SCHEMBL6133738

CC(C)n1nc(CC(=O)c2cccc(Cl)c2)ccc1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
ERCC5 P28715 1/20 0.41
FEN1 P39748 1/20 0.41
GSK3B P49841 1/20 0.41
POLB P06746 1/20 0.39
SLC6A2 P23975 3/20 0.39
CHRNA1 P02708 2/20 0.39
CHRNG P07510 2/20 0.39
CHRNB1 P11230 2/20 0.39
CHRNB2 P17787 2/20 0.39
CHRNB4 P30926 2/20 0.39
SLC6A4 P31645 2/20 0.39
CHRNA3 P32297 2/20 0.39
CHRNA4 P43681 2/20 0.39
SLC6A3 Q01959 2/20 0.39
CHRND Q07001 2/20 0.39
HPGD P15428 1/20 0.38
IDO1 P14902 2/20 0.38
CXCR3 P49682 1/20 0.38
ITGA5 P08648 1/20 0.38

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
SCHEMBL6133310 0.85 GSK3B (0.41) KMT2AGSK3BSLC6A2CHRNB2CHRNB4
SCHEMBL6133926 0.82 NPSR1 (0.44) KMT2APOLBTSHRALDH1A1SMN1; SMN2
SCHEMBL6134172 0.76 SLC6A2 (0.44) KMT2APOLBSLC6A2CHRNA1CHRNG
SCHEMBL6134144 0.74 MEN1 (0.43) KMT2AGSK3BALDH1A1
SCHEMBL6539165 0.72 POLB (0.38) KMT2APOLBHPGDCYP2C19TSHR
SCHEMBL6133324 0.71 POLB (0.43) KMT2APOLBSLC6A2CHRNA1CHRNG
SCHEMBL6133325 0.71 POLB (0.43) KMT2APOLBSLC6A2CHRNA1CHRNG
SCHEMBL23370058 0.70 POLB (0.36) POLBHPGDCYP2C19ALDH1A1SMN1; SMN2
SCHEMBL6133925 0.70 CTNNB1 (0.41) POLB
SCHEMBL13647196 0.68 ERCC5 (0.56) KMT2AERCC5FEN1SLC6A2CHRNA1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050043315-A1 Aminopyrimidine compounds, processes for their preparation and pharmaceutical compositions containing them ASTELLAS PHARMA INC. (JP) 2005-02-24 US disclosed
US-20050004134-A1 Thiazole derivative and pharmaceutical use thereof ASTELLAS PHARMA INC. (JP) 2005-01-06 US disclosed
EP-1441732-A2 THIAZOLE DERIVATIVE AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-04 EP disclosed
WO-2003057689-A1 AMINOPYRIMIDINE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-17 WO disclosed
WO-2003039451-A2 THIAZOLE PYRIDAZINONES AS ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-05-15 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 (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-20050043315-A1 Aminopyrimidine compounds, processes for their preparation and pharmaceutical compositions containing them ADORA2B, ADORA2A, ADORA1 KMT2A 1769/4885ERCC5 2787/4885FEN1 3228/4885
US-20050004134-A1 Thiazole derivative and pharmaceutical use thereof MC2R, CYP2C9, OXTR KMT2A 2724/4885ERCC5 4865/4885FEN1 4388/4885

“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.