SCHEMBL6843624

SCHEMBL6843624

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 2/20 0.51
▸ PKN1 Q16512 1/20 0.51
▸ PKN2 Q16513 1/20 0.51
▸ CRBN Q96SW2 1/20 0.40
▸ PARP1 P09874 5/20 0.40
▸ PRMT5 O14744 1/20 0.38
▸ WDR77 Q9BQA1 1/20 0.38
▸ LMNA P02545 3/20 0.38
▸ CHEK1 O14757 1/20 0.38
▸ NR1H4 Q96RI1 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ PLA2G2A P14555 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ NR4A2 P43354 1/20 0.37
▸ CREBBP Q92793 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37

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
SCHEMBL6836891 0.89 RIPK1 (0.50) RIPK1PKN1PKN2CRBNPARP1
SCHEMBL7478397 0.83 PKN1 (0.59) RIPK1PKN1PKN2CRBNPARP1
SCHEMBL6841975 0.81 RIPK1 (0.43) RIPK1PKN1PKN2CRBNPARP1
SCHEMBL7005881 0.81 PRMT5 (0.38) RIPK1PKN1PKN2PRMT5WDR77
SCHEMBL6841804 0.80 PKN1 (0.57) RIPK1PKN1PKN2CRBNPARP1
SCHEMBL15767242 0.80 PKN1 (0.57) RIPK1PKN1PKN2
SCHEMBL12730392 0.80 PKN1 (0.57) RIPK1PKN1PKN2CRBNPARP1
SCHEMBL1917467 0.79 RIPK1 (0.62) RIPK1PKN1PKN2CRBNPARP1
SCHEMBL939723 0.79 RIPK1 (0.59) RIPK1PKN1PKN2CRBNPARP1
SCHEMBL15808810 0.77 RIPK1 (0.57) RIPK1PKN1PKN2CRBNPARP1

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-20040034078-A1 Benzimidazole inhibitors of poly(ADP-ribosyl) polymerase AGOURON PHARMACEUTICALS, INC. 2004-02-19 — — US disclosed
WO-2003106430-A1 BENZIMIDAZOLE INHIBITORS OF POLY(ADP-RIBOSYL) POLYMERASE PFIZER INC. (US) 2003-12-24 — — 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-20040034078-A1 Benzimidazole inhibitors of poly(ADP-ribosyl) polymerase PARP1, PARP11, PARP2 RIPK1 1119/4885PKN1 742/4885PKN2 838/4885

“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.

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