SCHEMBL10195754

SCHEMBL10195754

Brc1ccc(-n2cc(-c3n[nH]c4ccccc34)nn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.49
LRRK2 Q5S007 2/20 0.46
IDO1 P14902 3/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
ALPL P05186 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
TTK P33981 1/20 0.44
MAPK10 P53779 1/20 0.44
PKM P14618 1/20 0.43
TRPV1 Q8NER1 1/20 0.42
FLT3 P36888 4/20 0.41
MAP4K4 O95819 2/20 0.41
CDK2 P24941 2/20 0.41
IRAK4 Q9NWZ3 2/20 0.41
DCLK1 O15075 1/20 0.41
PRKD3 O94806 1/20 0.41
CHEK2 O96017 1/20 0.41
CSF1R P07333 1/20 0.41

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
Ammonia Solution, Strong SCHEMBL27926209 0.85 FLT3 (0.56) GRM4LRRK2IDO1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL28806324 0.84 FLT3 (0.54) GRM4LRRK2IDO1KDM4EALDH1A1
SCHEMBL21772227 0.84 GRM4 (0.49) GRM4LRRK2IDO1KDM4EALDH1A1
SCHEMBL10196818 0.83 GRM4 (0.46) GRM4LRRK2IDO1KDM4EALDH1A1
SCHEMBL10194704 0.83 GRM4 (0.46) GRM4LRRK2IDO1KDM4EALDH1A1
SCHEMBL17850455 0.83 GRM4 (0.46) GRM4LRRK2IDO1KDM4EALDH1A1
SCHEMBL9951736 0.83 GRM4 (0.46) GRM4LRRK2IDO1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL9952647 0.82 GRM4 (0.45) GRM4LRRK2IDO1KDM4EALDH1A1
SCHEMBL9951937 0.82 MAP2K4 (0.61) GRM4LRRK2IDO1KDM4EALDH1A1
SCHEMBL27945220 0.81 MAP2K4 (0.47) GRM4LRRK2IDO1KDM4EALDH1A1

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 GRM4 3082/4885LRRK2 2651/4885IDO1 96/4885

“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.