SCHEMBL9953146

SCHEMBL9953146

O=C(Cc1cccc(-n2cc(-c3n[nH]c4ccccc34)nn2)c1)N1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
FLT3 P36888 1/20 0.40
ROCK2 O75116 2/20 0.40
CDC7 O00311 1/20 0.40
MAP4K4 O95819 1/20 0.40
PIM1 P11309 1/20 0.40
CDK2 P24941 1/20 0.40
HIPK2 Q9H2X6 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
LMNA P02545 3/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ROCK1 Q13464 2/20 0.39
MAPK8 P45983 1/20 0.39
MAPK10 P53779 1/20 0.39
CDK5 Q00535 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
SCHEMBL17850384 0.94 ROCK1 (0.40) CDK1CCNB1FLT3ROCK2CDC7
SCHEMBL10194885 0.92 LRRK2 (0.43) KMT2ACDC7MAPK10HTT
SCHEMBL10194865 0.92 MAPK10 (0.42) CDK1CCNB1FLT3ROCK2CDC7
SCHEMBL9952277 0.91 NPC1 (0.44) MEN1KMT2ACDK1CCNB1FLT3
SCHEMBL10194814 0.89 ROCK1 (0.43) ROCK2LMNAALDH1A1SMN1; SMN2ROCK1
SCHEMBL9952065 0.86 CDC7 (0.46) MEN1KMT2ACDK1FLT3ROCK2
SCHEMBL9951810 0.83 FKBP1A (0.47) MEN1KMT2ACDC7ALDH1A1SMN1; SMN2
SCHEMBL10194941 0.83 FLT3 (0.46) MEN1KMT2ACDK1CCNB1FLT3
SCHEMBL10194815 0.82 NPC1 (0.46) MEN1KMT2AALDH1A1MAPK8MAPK10
SCHEMBL10194875 0.82 FGFR1 (0.42) ROCK2CDC7MAP4K4PIM1CDK2

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 13 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
CN-103429585-B Indazolyl triazole derivatives as interleukin-1 receptor associated kinase inhibitors MERCK SERONO SA 2015-07-08 CN 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
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 POLB 2810/4885MEN1 3827/4885KMT2A 3615/4885

“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.