SCHEMBL9952444

SCHEMBL9952444

Cc1ccc(=O)n(Cc2ccc3[nH]nc(-c4cn(-c5ccc(C(=O)O)cc5)nn4)c3c2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 3/20 0.40
MAPK1 P28482 2/20 0.40
MAPKAPK3 Q16644 2/20 0.40
MAPK6 Q16659 2/20 0.40
CDC7 O00311 3/20 0.38
ROCK2 O75116 2/20 0.38
MAP4K4 O95819 2/20 0.38
PIM1 P11309 2/20 0.38
CDK2 P24941 2/20 0.38
HIPK2 Q9H2X6 2/20 0.38
IRAK4 Q9NWZ3 2/20 0.38
MAPK14 Q16539 2/20 0.36
CSNK1D P48730 1/20 0.36
EGFR P00533 1/20 0.36
KDR P35968 1/20 0.36
TOP2B Q02880 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
LRRK2 Q5S007 2/20 0.35
PIK3CA P42336 1/20 0.35

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
SCHEMBL9951918 0.88 HDAC1 (0.41) MAP2K4MAPK1MAPKAPK3MAPK6CDC7
SCHEMBL9951714 0.87 MET (0.41) MAP2K4MAPK1MAPKAPK3MAPK6CDC7
SCHEMBL9952225 0.87 GAA (0.44) LRRK2PIK3CAPOLB
SCHEMBL27926191 0.80 CDC7 (0.41) MAPK1CDC7ROCK2MAP4K4PIM1
SCHEMBL9952385 0.76 JAK2 (0.41) MAPK14LRRK2POLB
SCHEMBL10194694 0.76 MET (0.42) MAPK14LRRK2
SCHEMBL10194788 0.76 JAK2 (0.42) CDC7MAPK14LRRK2MKNK2POLB
Tert-Butyl Formate SCHEMBL27945260 0.76 MEN1 (0.44) CDC7IRAK4MAPK14DHODHMEN1
SCHEMBL9951937 0.75 MAP2K4 (0.61) MAP2K4MAPK1MAPKAPK3MAPK6CDC7
SCHEMBL10196685 0.74 MAPK10 (0.41) PIM1IRAK4LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655357-B1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO SA (CH) 2016-06-22 EP disclosed
EP-2655357-B1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO SA (CH) 2016-06-22 EP disclosed
US-9073892-B2 Indazolyl triazol derivatives MERCK SERONO S.A. (CH) 2015-07-07 US disclosed
US-9073892-B2 Indazolyl triazol derivatives MERCK SERONO S.A. (CH) 2015-07-07 US disclosed
US-9073892-B2 Indazolyl triazol derivatives MERCK SERONO S.A. (CH) 2015-07-07 US disclosed
CN-103429585-A Indazolyl triazole derivatives as interleukin-1 receptor associated kinase inhibitors MERCK SERONO SA 2013-12-04 CN disclosed
EP-2655357-A1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS Merck Serono S.A. (CH) 2013-10-30 EP disclosed
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES MERCK SERONO S.A. - INTELLECTUAL PROPERTY (CH) 2013-10-17 US disclosed
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES MERCK SERONO S.A. - INTELLECTUAL PROPERTY (CH) 2013-10-17 US disclosed
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES MERCK SERONO S.A. - INTELLECTUAL PROPERTY (CH) 2013-10-17 US disclosed
WO-2012084704-A1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO S.A. (CH) 2012-06-28 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 (1 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-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES NFATC1, IL5, CD4 MAP2K4 3270/4885MAPK1 1717/4885MAPKAPK3 674/4885

“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.