SCHEMBL10194692

SCHEMBL10194692

c1cc(CCCN2CCOCC2)cc(-n2cc(-c3n[nH]c4ccccc34)nn2)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.44
LRRK2 Q5S007 3/20 0.44
POLB P06746 1/20 0.44
CDC7 O00311 3/20 0.44
FGFR1 P11362 2/20 0.41
FLT1 P17948 1/20 0.41
FAAH O00519 1/20 0.41
MGLL Q99685 1/20 0.41
ITK Q08881 1/20 0.40
PIK3CA P42336 1/20 0.40
PARP1 P09874 2/20 0.40
MIF P14174 2/20 0.40
HTR7 P34969 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
SCHEMBL10194729 0.94 LRRK2 (0.45) SIGMAR1LRRK2CDC7FGFR1FLT1
SCHEMBL10194695 0.92 FGFR1 (0.45) SIGMAR1CDC7FGFR1FLT1FAAH
SCHEMBL10194875 0.86 FGFR1 (0.42) SIGMAR1CDC7FGFR1FLT1
SCHEMBL9951810 0.83 FKBP1A (0.47) LRRK2CDC7FGFR1FLT1ITK
SCHEMBL10194750 0.81 MAPK10 (0.55) PARP1
SCHEMBL10194885 0.81 LRRK2 (0.43) LRRK2CDC7FGFR1FLT1ITK
SCHEMBL10194970 0.80 JAK2 (0.47) LRRK2CDC7FGFR1FLT1ITK
SCHEMBL10196686 0.79 LRRK2 (0.44) SIGMAR1LRRK2CDC7FGFR1FLT1
SCHEMBL17850415 0.78 CDC7 (0.40) SIGMAR1LRRK2CDC7FGFR1FLT1
SCHEMBL27945212 0.78 CDC7 (0.41) CDC7FGFR1FLT1PIK3CAPARP1

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 SIGMAR1 3728/4885LRRK2 2651/4885POLB 2810/4885

“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.