SCHEMBL15809088

SCHEMBL15809088

COC(=O)c1cc(N)cc2[nH]c(Cl)nc12

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 6/20 0.45
ABL1 P00519 1/20 0.41
GAA P10253 2/20 0.39
TSHR P16473 1/20 0.39
PKN1 Q16512 1/20 0.38
PKN2 Q16513 1/20 0.38
MAPT P10636 1/20 0.37
KDM4E B2RXH2 3/20 0.37
NR4A2 P43354 2/20 0.37
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
RIPK1 Q13546 1/20 0.36

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
SCHEMBL16364071 0.83 KDM4E (0.40) NQO2PKN1PKN2KDM4ENR4A2
SCHEMBL15809074 0.81 PARP1 (0.40) NQO2GAATSHRPKN1PKN2
SCHEMBL15808713 0.81 PRMT5 (0.42) NQO2GAATSHRPKN1PKN2
SCHEMBL7471336 0.81 PARP1 (0.39) NQO2GAATSHRPKN1PKN2
SCHEMBL15808795 0.80 PTGES (0.44)
SCHEMBL15808720 0.80 NQO2 (0.40) NQO2GAATSHRPKN1PKN2
SCHEMBL15918408 0.79 MAPT (0.39) NQO2GAATSHRPKN1PKN2
SCHEMBL15808944 0.79 MEN1 (0.41) GAAMAPTPRMT5WDR77ALDH1A1
SCHEMBL15808833 0.79 PARP1 (0.51) RIPK1
SCHEMBL15808785 0.78 MAPT (0.46) NQO2GAATSHRMAPTPRMT5

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 6 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

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-20140221339-A1 Heterocyclic Derivative and Pharmaceutical Drug PTGES, PTGER1, PTGS1 NQO2 1034/4885ABL1 3357/4885GAA 2700/4885
US-20160046612-A1 Heterocyclic Derivative and Pharmaceutical Drug PTGES, PTGER1, PTGS1 NQO2 1034/4885ABL1 3357/4885GAA 2700/4885

“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.