SCHEMBL6841804

SCHEMBL6841804

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

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKN1 Q16512 1/20 0.57
PKN2 Q16513 1/20 0.57
RIPK1 Q13546 2/20 0.57
CRBN Q96SW2 1/20 0.44
PARP1 P09874 8/20 0.43
CHEK1 O14757 1/20 0.42
KDM4E B2RXH2 3/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
NR4A2 P43354 1/20 0.42
PLA2G2A P14555 1/20 0.41
ALOX15 P16050 1/20 0.41
PTGS2 P35354 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NR1H4 Q96RI1 1/20 0.41

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
SCHEMBL7478397 0.87 PKN1 (0.59) PKN1PKN2RIPK1CRBNPARP1
SCHEMBL7485575 0.86 CHEK1 (0.52) PKN1PKN2RIPK1PARP1CHEK1
SCHEMBL15767242 0.86 PKN1 (0.57) PKN1PKN2RIPK1
SCHEMBL12730392 0.86 PKN1 (0.57) PKN1PKN2RIPK1CRBNPARP1
SCHEMBL4033463 0.85 PARP1 (0.43) PKN1PKN2RIPK1PARP1CHEK1
SCHEMBL1917467 0.85 RIPK1 (0.62) PKN1PKN2RIPK1CRBNPARP1
SCHEMBL939723 0.85 RIPK1 (0.59) PKN1PKN2RIPK1CRBNPARP1
SCHEMBL6836891 0.84 RIPK1 (0.50) PKN1PKN2RIPK1CRBNPARP1
SCHEMBL6245510 0.83 PKN1 (0.54) PKN1PKN2RIPK1CRBNPARP1
SCHEMBL15808810 0.83 RIPK1 (0.57) PKN1PKN2RIPK1CRBNPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9732066-B2 Heterocyclic derivative and pharmaceutical drug NIPPON SHINY AKU CO., LTD. (JP) 2017-08-15 US disclosed
US-20160046612-A1 Heterocyclic Derivative and Pharmaceutical Drug NIPPON SHINYAKU CO., LTD. (JP) 2016-02-18 US disclosed
US-9216968-B2 Heterocyclic derivative and pharmaceutical drug NIPPON SHINYAKU CO., LTD. (JP) 2015-12-22 US disclosed
EP-2746265-B1 HETEROCYCLIC DERIVATIVE AS MICROSOMAL PROSTAGLANDIN E SYNTHASE (mPGEs) INHIBITOR NIPPON SHINYAKU CO LTD (JP) 2015-11-18 EP disclosed
US-20140221339-A1 Heterocyclic Derivative and Pharmaceutical Drug NIPPON SHINYAKU CO., LTD. (JP) 2014-08-07 US disclosed
EP-2746265-A1 HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL DRUG Nippon Shinyaku Co., Ltd. (JP) 2014-06-25 EP disclosed
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 (3 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-20140221339-A1 Heterocyclic Derivative and Pharmaceutical Drug PTGES, PTGER1, PTGS1 PKN1 1608/4885PKN2 2769/4885RIPK1 2510/4885
US-20160046612-A1 Heterocyclic Derivative and Pharmaceutical Drug PTGES, PTGER1, PTGS1 PKN1 1608/4885PKN2 2769/4885RIPK1 2510/4885
US-20040034078-A1 Benzimidazole inhibitors of poly(ADP-ribosyl) polymerase PARP1, PARP11, PARP2 PKN1 742/4885PKN2 838/4885RIPK1 1119/4885

“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.