SCHEMBL2011769

SCHEMBL2011769

COC(=O)c1cccc2nn[nH]c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.43
ATM Q13315 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 2/20 0.43
LMNA P02545 2/20 0.43
TSHR P16473 2/20 0.43
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 2/20 0.42
CFTR P13569 1/20 0.42
ALOX5 P09917 1/20 0.41
POLB P06746 1/20 0.41
NR4A2 P43354 2/20 0.41
ILK Q13418 1/20 0.41
MAPT P10636 2/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.40
PIM1 P11309 1/20 0.39
PIM3 Q86V86 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
SCHEMBL2934943 0.80 ALDH1A1 (0.44) KDM4ETSHRALDH1A1HSD17B10NR4A2
SCHEMBL2427967 0.79 GAA (0.41) KDM4EATMGAALMNATSHR
SCHEMBL20873791 0.78 AURKA (0.51) KDM4EGAATSHRALDH1A1HSD17B10
SCHEMBL30567542 0.78 AURKA (0.51) KDM4EGAATSHRALDH1A1HSD17B10
SCHEMBL31056113 0.75 L3MBTL1 (0.39) KDM4EGAATSHRALDH1A1HSD17B10
SCHEMBL29116805 0.75 SERPINH1 (0.43) KDM4EKMT2ATSHRALDH1A1NR4A2
SCHEMBL29267953 0.75 L3MBTL1 (0.39) KDM4EGAATSHRALDH1A1HSD17B10
SCHEMBL30701408 0.75 SERPINH1 (0.43) KDM4EKMT2ATSHRALDH1A1NR4A2
SCHEMBL536590 0.74 KDM4E (0.46) KDM4EATMKMT2AGAALMNA
SCHEMBL717583 0.74 PKN1 (0.50) KDM4EATMKMT2AGAALMNA

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
EP-2007733-B1 AMIDE SUBSTITUTED INDAZOLE AND BENZOTRIAZOLE DERIVATIVES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS MSD ITALIA SRL (IT) 2016-05-25 EP disclosed
US-20110201657-A1 AMIDE SUBSTITUTED INDAZOLE AND BENZOTRIAZOLE DERIVATIVES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-08-18 US disclosed
WO-2011073316-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2011-06-23 WO disclosed
US-20090275619-A1 Amide Substituted Indazole and Benzotriazole Derivatives as Poly(ADP-Ribose)Polymerase (PARP) Inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-11-05 US disclosed
EP-2007733-A1 AMIDE SUBSTITUTED INDAZOLE AND BENZOTRIAZOLE DERIVATIVES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2008-12-31 EP disclosed
WO-2007113596-A1 AMIDE SUBSTITUTED INDAZOLE AND BENZOTRIAZOLE DERIVATIVES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-10-11 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 (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-20090275619-A1 Amide Substituted Indazole and Benzotriazole Derivatives as Poly(ADP-Ribose)Polymerase (PARP) Inhibitors PARP1, PARP3, PARP2 KDM4E 3023/4885ATM 56/4885KMT2A 1416/4885
US-20110201657-A1 AMIDE SUBSTITUTED INDAZOLE AND BENZOTRIAZOLE DERIVATIVES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS PARP1, PARP3, PARP2 KDM4E 3023/4885ATM 56/4885KMT2A 1416/4885

“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.