Sugi Predict

Sugi Predict / Compounds / SCHEMBL10194940

SCHEMBL10194940

SCHEMBL10194940

CC(C)NC(=O)c1cccc(-n2cc(-c3n[nH]c4ccccc34)nn2)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.42
▸ MAP2K4 P45985 1/20 0.42
▸ MAPKAPK3 Q16644 1/20 0.42
▸ MAPK6 Q16659 1/20 0.42
▸ GPR142 Q7Z601 10/20 0.41
▸ PRKD1 Q15139 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ KDM6B O15054 1/20 0.40
▸ KDM5C P41229 1/20 0.40
▸ KDM4C Q9H3R0 1/20 0.40
▸ KDM2A Q9Y2K7 1/20 0.40
▸ KDM3A Q9Y4C1 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.39
▸ ROCK1 Q13464 1/20 0.39
▸ MAPK3 P27361 1/20 0.39
▸ STIM1 Q13586 1/20 0.39
▸ ORAI1 Q96D31 1/20 0.39
▸ ESRRA P11474 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
SCHEMBL10195388 0.85 KDM4E (0.52) MAPK1GPR142PRKD1KDM4E
SCHEMBL10195380 0.81 MGLL (0.42) MAPK1MAP2K4MAPKAPK3MAPK6KDM4E
SCHEMBL10194941 0.80 FLT3 (0.46) MAPK1MAP2K4MAPKAPK3MAPK6KDM4E
SCHEMBL10195379 0.79 MAPK8 (0.49) KDM4E
SCHEMBL10195381 0.78 ITK (0.42) GPR142PRKD1
SCHEMBL10194749 0.77 PARP1 (0.46) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL10195025 0.77 FLT3 (0.51) MAPK1MAP2K4MAPKAPK3MAPK6
SCHEMBL10194750 0.76 MAPK10 (0.55) KDM4E
SCHEMBL9952065 0.76 CDC7 (0.46) MAPK1MAP2K4MAPKAPK3MAPK6KDM4E
SCHEMBL10195022 0.75 MAPK8 (0.48) MAPK1MAP2K4MAPK3

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 9 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
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 MAPK1 1717/4885MAP2K4 3270/4885MAPKAPK3 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.