SCHEMBL6841975

SCHEMBL6841975

COC(=O)c1cccc2[nH]c(CSCCN3CCOCC3)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.43
PARP1 P09874 2/20 0.43
PKN1 Q16512 1/20 0.43
PKN2 Q16513 1/20 0.43
ALDH1A1 P00352 5/20 0.41
HPGD P15428 2/20 0.41
RAB9A P51151 1/20 0.41
MAPK1 P28482 1/20 0.41
CRBN Q96SW2 1/20 0.41
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.40
HSD17B10 Q99714 1/20 0.40
PIK3CB P42338 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
AKT1 P31749 1/20 0.40
MEN1 O00255 1/20 0.40
GLA P06280 1/20 0.40
KMT2A Q03164 1/20 0.40
CNR1 P21554 1/20 0.39
HTR3A P46098 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
SCHEMBL6841121 0.87 PARP1 (0.56) PARP1
SCHEMBL6843624 0.81 RIPK1 (0.51) RIPK1PARP1PKN1PKN2RAB9A
SCHEMBL6836891 0.80 RIPK1 (0.50) RIPK1PARP1PKN1PKN2ALDH1A1
SCHEMBL7477386 0.75 HPGD (0.51) PARP1ALDH1A1HPGDKDM4EGAA
SCHEMBL7478397 0.73 PKN1 (0.59) RIPK1PARP1PKN1PKN2ALDH1A1
SCHEMBL6841804 0.72 PKN1 (0.57) RIPK1PARP1PKN1PKN2ALDH1A1
SCHEMBL15767242 0.72 PKN1 (0.57) RIPK1PKN1PKN2
SCHEMBL12730392 0.72 PKN1 (0.57) RIPK1PARP1PKN1PKN2CRBN
SCHEMBL7484755 0.71 HPGD (0.57) PARP1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL939723 0.71 RIPK1 (0.59) RIPK1PARP1PKN1PKN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040034078-A1 Benzimidazole inhibitors of poly(ADP-ribosyl) polymerase AGOURON PHARMACEUTICALS, INC. 2004-02-19 US 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-20040034078-A1 Benzimidazole inhibitors of poly(ADP-ribosyl) polymerase PARP1, PARP11, PARP2 RIPK1 1119/4885PARP1 1/4885PKN1 742/4885

“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.