SCHEMBL9952065

SCHEMBL9952065

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 5/20 0.46
ROCK2 O75116 3/20 0.46
MAP4K4 O95819 3/20 0.46
PIM1 P11309 3/20 0.46
HIPK2 Q9H2X6 3/20 0.46
IRAK4 Q9NWZ3 3/20 0.46
CDK2 P24941 2/20 0.46
MAP2K4 P45985 2/20 0.43
MAPK1 P28482 2/20 0.43
GRM4 Q14833 1/20 0.43
MAPKAPK3 Q16644 1/20 0.43
MAPK6 Q16659 1/20 0.43
PRKACA P17612 2/20 0.41
MKNK2 Q9HBH9 2/20 0.41
GSK3B P49841 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
MIF P14174 1/20 0.41
MAPT P10636 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL9952518 0.90 CDC7 (0.44) CDC7ROCK2MAP4K4PIM1HIPK2
SCHEMBL9951780 0.88 GRM4 (0.45) CDC7ROCK2MAP4K4PIM1HIPK2
SCHEMBL9953146 0.86 POLB (0.42) CDC7ROCK2MAP4K4PIM1HIPK2
SCHEMBL17850384 0.85 ROCK1 (0.40) CDC7ROCK2MAP4K4PIM1HIPK2
SCHEMBL10194885 0.84 LRRK2 (0.43) CDC7MAPTKMT2AITKMAPK10
SCHEMBL10194865 0.84 MAPK10 (0.42) CDC7ROCK2MAP4K4PIM1HIPK2
SCHEMBL9952277 0.81 NPC1 (0.44) CDC7ROCK2MAP4K4PIM1HIPK2
SCHEMBL9952315 0.80 GRM4 (0.44) CDC7ROCK2MAP4K4PIM1HIPK2
SCHEMBL9951810 0.79 FKBP1A (0.47) CDC7MAPTMEN1KMT2AALDH1A1
SCHEMBL10194875 0.78 FGFR1 (0.42) CDC7ROCK2MAP4K4PIM1HIPK2

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 CDC7 1831/4885ROCK2 1273/4885MAP4K4 1545/4885

“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.