SCHEMBL9951780

SCHEMBL9951780

O=C(O)Cc1ccc(-n2cc(-c3n[nH]c4ccccc34)nn2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.45
CDC7 O00311 2/20 0.43
ROCK2 O75116 2/20 0.43
MAP4K4 O95819 2/20 0.43
PIM1 P11309 2/20 0.43
CDK2 P24941 2/20 0.43
HIPK2 Q9H2X6 2/20 0.43
IRAK4 Q9NWZ3 2/20 0.43
MAP2K4 P45985 2/20 0.42
MIF P14174 4/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.40
ALPL P05186 1/20 0.40
IDO1 P14902 1/20 0.40
HPGD P15428 1/20 0.40
TTK P33981 1/20 0.40
MAPK10 P53779 1/20 0.40
MAPK1 P28482 2/20 0.40
MAPKAPK3 Q16644 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
SCHEMBL9952315 0.89 GRM4 (0.44) GRM4CDC7ROCK2MAP4K4PIM1
SCHEMBL9952065 0.88 CDC7 (0.46) GRM4CDC7ROCK2MAP4K4PIM1
SCHEMBL9952819 0.87 GRM4 (0.44) GRM4CDC7ROCK2MAP4K4PIM1
SCHEMBL10194704 0.86 GRM4 (0.46) GRM4CDC7ROCK2MAP4K4PIM1
SCHEMBL10194814 0.85 ROCK1 (0.43) GRM4ROCK2ALDH1A1GAAHPGD
SCHEMBL9951937 0.85 MAP2K4 (0.61) GRM4CDC7ROCK2MAP4K4PIM1
SCHEMBL9951926 0.84 OGT (0.43) GRM4CDC7ROCK2MAP4K4PIM1
SCHEMBL17850455 0.83 GRM4 (0.46) GRM4CDC7ROCK2MAP4K4PIM1
SCHEMBL9951736 0.83 GRM4 (0.46) GRM4CDC7ROCK2MAP4K4PIM1
SCHEMBL10194847 0.83 MAPT (0.47) ROCK2ALDH1A1HPGDMAPK10LRRK2

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 GRM4 3082/4885CDC7 1831/4885ROCK2 1273/4885

“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.