SCHEMBL10195022

SCHEMBL10195022

CCNC(=O)c1ccc(-n2cc(-c3n[nH]c4ccccc34)nn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 3/20 0.48
P2RY14 Q15391 1/20 0.43
MIF P14174 3/20 0.43
AURKA O14965 1/20 0.42
ITK Q08881 3/20 0.42
MAP2K4 P45985 1/20 0.42
MAPK3 P27361 1/20 0.40
MAPK1 P28482 1/20 0.40
FLT3 P36888 1/20 0.40
BRD4 O60885 1/20 0.40
MAPT P10636 1/20 0.40
GRM4 Q14833 1/20 0.40
CDC7 O00311 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 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
SCHEMBL9952538 0.89 MAPK8 (0.45) MAPK8P2RY14MIFITKMAP2K4
SCHEMBL10195025 0.88 FLT3 (0.51) MAPK8P2RY14MIFITKMAP2K4
SCHEMBL10195023 0.88 KDM4E (0.54) MAPK8MIFITKMAPK1MAPT
SCHEMBL10194957 0.88 ACKR3 (0.52) MAPK8MAPK1MAPTALDH1A1CYP2C19
SCHEMBL10194751 0.86 ITK (0.52) MAPK8MIFITKMAP2K4FLT3
SCHEMBL10194949 0.86 ACKR3 (0.54) MAPK8P2RY14FLT3MAPTALDH1A1
SCHEMBL9953128 0.84 MAPK1 (0.53) MAPK8MIFITKMAPK3MAPK1
SCHEMBL10195545 0.84 MAPT (0.47) MAPK8MIFMAPK1MAPTALDH1A1
SCHEMBL9951937 0.83 MAP2K4 (0.61) P2RY14MIFITKMAP2K4MAPK1
SCHEMBL10195548 0.83 ITK (0.47) MAPK8MIFAURKAITKMAPK3

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 7 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-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 MAPK8 1091/4885P2RY14 2361/4885MIF 100/4885

“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.