SCHEMBL9952387

SCHEMBL9952387

Cc1ccc2[nH]nc(-c3cn(-c4ccc(C=O)cc4)nn3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 2/20 0.43
MAP2K4 P45985 8/20 0.41
MAPK1 P28482 4/20 0.41
MAPKAPK3 Q16644 4/20 0.41
MAPK6 Q16659 4/20 0.41
MAPKAPK2 P49137 3/20 0.41
MAPKAPK5 Q8IW41 3/20 0.41
ITK Q08881 2/20 0.40
KDR P35968 2/20 0.40
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA12 O43570 2/20 0.38
CA9 Q16790 2/20 0.38
CDC7 O00311 1/20 0.38
ROCK2 O75116 1/20 0.38
MAP4K4 O95819 1/20 0.38
PIM1 P11309 1/20 0.38
CDK2 P24941 1/20 0.38
HIPK2 Q9H2X6 1/20 0.38
IRAK4 Q9NWZ3 1/20 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
SCHEMBL10194723 0.81 MAP2K4 (0.46) FLT3MAP2K4MAPK1MAPKAPK3MAPK6
SCHEMBL10194776 0.81 MAP2K4 (0.46) FLT3MAP2K4MAPK1MAPKAPK3MAPK6
SCHEMBL10194779 0.78 CDC7 (0.44) FLT3MAP2K4MAPK1MAPKAPK3MAPK6
Ammonia Solution, Strong SCHEMBL27926209 0.77 FLT3 (0.56) FLT3ITKKDRCA1CA2
SCHEMBL10194773 0.77 FGFR1 (0.46) FLT3MAP2K4MAPK1MAPKAPK3MAPK6
SCHEMBL10195387 0.77 CDC7 (0.42) FLT3MAP2K4MAPK1MAPKAPK3MAPK6
Hydrochloric Acid SCHEMBL28806324 0.76 FLT3 (0.54) FLT3ITKKDRCA1CA2
SCHEMBL10194781 0.76 JAK2 (0.49) FLT3MAP2K4MAPK1MAPKAPK3MAPK6
SCHEMBL10194780 0.76 JAK2 (0.48) MAP2K4ITKCDC7ROCK2MAP4K4
SCHEMBL28418132 0.74 PTGS2 (0.64) FLT3KDRCA1CA2CA12

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
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
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 FLT3 282/4885MAP2K4 3270/4885MAPK1 1717/4885

“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.