SCHEMBL1118921

SCHEMBL1118921

NC(=O)c1cccc(CN2CCCCC2)n1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 2/20 0.49
CXCR4 P61073 2/20 0.47
PARP1 P09874 6/20 0.45
PARP2 Q9UGN5 2/20 0.45
PARP3 Q9Y6F1 2/20 0.45
SCN9A Q15858 5/20 0.45
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
HIF1A Q16665 1/20 0.43
TSHR P16473 2/20 0.42
GAA P10253 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 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
SCHEMBL13833166 0.92 CXCR4 (0.50) KDM4EALDH1A1HPGDHSD17B10CXCR4
SCHEMBL1252421 0.88 GNE (0.54) KDM4EALDH1A1HPGDHSD17B10CXCR4
SCHEMBL17819773 0.86 ALDH1A1 (0.48) KDM4EALDH1A1HPGDHSD17B10CXCR4
SCHEMBL465886 0.86 GNE (0.55) KDM4EALDH1A1HPGDHSD17B10CXCR4
SCHEMBL15651024 0.85 CXCR4 (0.69) KDM4EALDH1A1HSD17B10CXCR4PARP1
SCHEMBL15650850 0.85 PARP1 (0.47) KDM4ECXCR4PARP1PARP2PARP3
SCHEMBL17820696 0.84 CXCR4 (0.47) KDM4EALDH1A1HPGDHSD17B10CXCR4
SCHEMBL15652640 0.84 CXCR4 (0.43) KDM4EALDH1A1HPGDHSD17B10CXCR4
SCHEMBL15652638 0.84 KMT2A (0.55) KDM4EALDH1A1CXCR4SCN9A
SCHEMBL15652332 0.82 GRM2 (0.44) CXCR4SCN9ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 US disclosed
US-20180305356-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2018-10-25 US disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 US disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 US disclosed
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 US disclosed
US-20150259340-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-17 US disclosed
WO-2014060112-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO disclosed
EP-2280946-A1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES Glaxo Group Limited (GB) 2011-02-09 EP disclosed
WO-2009147187-A1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES GLAXO GROUP LIMITED (GB) 2009-12-10 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 (5 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-20150259340-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK KDM4E 1662/4885ALDH1A1 4333/4885HPGD 4082/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK KDM4E 1409/4885ALDH1A1 3674/4885HPGD 3245/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK KDM4E 1662/4885ALDH1A1 4333/4885HPGD 4082/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK KDM4E 1645/4885ALDH1A1 4184/4885HPGD 4156/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK KDM4E 1645/4885ALDH1A1 4184/4885HPGD 4156/4885

“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.