SCHEMBL1551487

SCHEMBL1551487

NC(=O)c1[c]c(N)ccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 3/20 0.41
MKNK2 Q9HBH9 3/20 0.41
KDM4E B2RXH2 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
GABRP O00591 2/20 0.38
GABRD O14764 2/20 0.38
GABRA1 P14867 2/20 0.38
GABRB1 P18505 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38
GABRA2 P47869 2/20 0.38
GABRB2 P47870 2/20 0.38
GABRA4 P48169 2/20 0.38
GABRE P78334 2/20 0.38
GABRA6 Q16445 2/20 0.38
GABRG1 Q8N1C3 2/20 0.38
GABRG3 Q99928 2/20 0.38
GABRQ Q9UN88 2/20 0.38

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
SCHEMBL8924560 0.83 GABRP (0.47) MKNK1MKNK2KDM4EL3MBTL1GABRP
SCHEMBL2586506 0.78 CDK8 (0.38) MKNK1MKNK2KDM4EL3MBTL1GABRP
SCHEMBL3232701 0.78 SIRT3 (0.36) MKNK1MKNK2KDM4EL3MBTL1GABRP
SCHEMBL6493586 0.73 KMT2A (0.39) MKNK1MKNK2KDM4EL3MBTL1GABRP
SCHEMBL3355639 0.73 KDM4E (0.39) MKNK1MKNK2KDM4EL3MBTL1NNMT
SCHEMBL14353433 0.73 KDM4E (0.37) MKNK1MKNK2KDM4EL3MBTL1GABRP
SCHEMBL18554602 0.72 CDC7 (0.40) MKNK1MKNK2L3MBTL1PARP1TSHR
SCHEMBL7453239 0.71 PTPN11 (0.36) MKNK1MKNK2KDM4EL3MBTL1NNMT
SCHEMBL4160374 0.71 PARP10 (0.42) MKNK1MKNK2L3MBTL1TSHRIKBKB
SCHEMBL7456442 0.71 MAPK9 (0.36) MKNK1MKNK2KDM4EL3MBTL1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2313412-B1 NOVEL DERIVATIVES OF PYRROLOINDOLE INHIBITORS OF HSP90, COMPOSITIONS CONTAINING SAME, AND USE THEREOF SANOFI SA (FR) 2013-01-02 EP disclosed
US-8178687-B2 Derivatives of pyrroloindole which are inhibitors of Hsp90, compositions containing same, and use thereof SANOFI-AVENTIS (FR) 2012-05-15 US disclosed
EP-2313412-A1 NOVEL DERIVATIVES OF PYRROLOINDOLE INHIBITORS OF HSP90, COMPOSITIONS CONTAINING SAME, AND USE THEREOF Sanofi-aventis (FR) 2011-04-27 EP disclosed
WO-2009153516-A1 NOVEL DERIVATIVES OF PYRROLOINDOLE INHIBITORS OF HSP90, COMPOSITIONS CONTAINING SAME, AND USE THEREOF SANOFI-AVENTIS (FR) 2009-12-23 WO disclosed
US-7470696-B2 Tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 US disclosed
US-7462613-B2 Pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-12-09 US disclosed
US-7309701-B2 Pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-12-18 US disclosed
EP-1581539-A4 NOVEL TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2007-09-19 EP disclosed
EP-1611121-B1 PYRIDAZINONE DERIVATIVES AS CDK2-INHIBITORS AVENTIS PHARMA SA (FR) 2007-08-08 EP disclosed
EP-1581505-B1 PYRIDAZINONE DERIVATIVES AS GSK-3BETA INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2007-08-01 EP disclosed
US-20070135443-A1 NOVEL TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
US-7189716-B2 Tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-13 US disclosed
EP-1581539-A2 NOVEL TYROSINE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2005-10-05 EP disclosed
US-20050026918-A1 Novel pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-02-03 US disclosed
US-20040180897-A1 Novel tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-09-16 US disclosed
WO-2004063151-A2 NOVEL TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-07-29 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-20040180897-A1 Novel tyrosine kinase inhibitors ABL1, ROS1, YES1 MKNK1 238/4885MKNK2 215/4885KDM4E 904/4885
US-20050026918-A1 Novel pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them C5, ADRA2C, ADRA1A MKNK1 3741/4885MKNK2 2655/4885KDM4E 3541/4885
US-20070135443-A1 NOVEL TYROSINE KINASE INHIBITORS ABL1, ERBB2, ROS1 MKNK1 274/4885MKNK2 242/4885KDM4E 910/4885

“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.