SCHEMBL6584861

SCHEMBL6584861

Cc1ccccc1C(=O)CN1N=CC=Cc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.39
FEN1 P39748 1/20 0.39
CTNNB1 P35222 6/20 0.38
WNT3A P56704 6/20 0.38
BCHE P06276 1/20 0.36
HTT P42858 1/20 0.35
PTBP1 P26599 1/20 0.34
P2RX1 P51575 1/20 0.34
P2RX3 P56373 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
P2RX4 Q99571 1/20 0.34
P2RX7 Q99572 1/20 0.34
KMT2A Q03164 1/20 0.34
ELANE P08246 1/20 0.34
ENPP3 O14638 1/20 0.33
ALPL P05186 1/20 0.33
XIAP P98170 1/20 0.33

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
SCHEMBL7333680 0.79 P2RX4 (0.40) PTBP1P2RX1P2RX3SMN1; SMN2NPSR1
SCHEMBL6610171 0.77 LMNA (0.45) PTBP1P2RX1P2RX3SMN1; SMN2NPSR1
SCHEMBL11709130 0.74 MAPK1 (0.34) PTBP1P2RX1P2RX3SMN1; SMN2NPSR1
SCHEMBL9471391 0.70 LMNA (0.34) P2RX1P2RX3P2RX4
SCHEMBL4481010 0.69 CHRM2 (0.39) P2RX1P2RX3SMN1; SMN2P2RX4KMT2A
SCHEMBL2979170 0.68 P2RX4 (0.42) PTBP1P2RX1P2RX3SMN1; SMN2NPSR1
SCHEMBL7492324 0.67 L3MBTL1 (0.34) SMN1; SMN2NPSR1KMT2A
SCHEMBL8519455 0.67 CTNNB1 (0.39) ERCC5FEN1CTNNB1WNT3ABCHE
SCHEMBL5068751 0.66 P2RX4 (0.42) PTBP1P2RX1P2RX3SMN1; SMN2NPSR1
SCHEMBL7334705 0.65 LMNA (0.51) BCHEPTBP1P2RX1P2RX3SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040138207-A1 Anticancer agents; side effect reduction ASTELLAS PHARMA INC. (JP) 2004-07-15 US disclosed
EP-1391203-A1 ANTITUMOR AGENTS YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2004-02-25 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 (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-20040138207-A1 Anticancer agents; side effect reduction MKI67, TPMT, PBRM1 ERCC5 1557/4885FEN1 611/4885CTNNB1 1960/4885

“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.