SCHEMBL9952513

SCHEMBL9952513

COc1ccc(Cn2nc(-c3cn(-c4ccc(C(=O)N5CCOCC5)cc4)nn3)c3cc(OCCCO)ccc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.45
HPGD P15428 6/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MIF P14174 2/20 0.41
ALDH1A1 P00352 6/20 0.41
NPC1 O15118 3/20 0.40
POLB P06746 3/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
STAT3 P40763 1/20 0.38
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
LMNA P02545 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37

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
SCHEMBL9951756 0.89 HPGD (0.47) RAB9AHPGDSMN1; SMN2MIFALDH1A1
SCHEMBL9952668 0.89 RAB9A (0.46) RAB9AHPGDSMN1; SMN2ALDH1A1NPC1
SCHEMBL9951883 0.84 RAB9A (0.42) RAB9AHPGDSMN1; SMN2ALDH1A1NPC1
SCHEMBL10195397 0.79 MIF (0.44) MIFHRH3
SCHEMBL9952570 0.74 GRM1 (0.40) RAB9AHPGDSMN1; SMN2ALDH1A1NPC1
SCHEMBL9951874 0.72 GAA (0.41) RAB9AALDH1A1GAASTAT3IDO1
SCHEMBL10196824 0.72 KIT (0.45) RAB9AMIFHRH3
SCHEMBL10194879 0.71 RAB9A (0.46) RAB9AHPGDSMN1; SMN2ALDH1A1POLB
SCHEMBL9952705 0.71 GAA (0.38) ALDH1A1GAASTAT3IDO1TDO2
SCHEMBL10196860 0.70 CNR2 (0.35) RAB9AHPGDSMN1; SMN2ALDH1A1MAPT

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
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
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 RAB9A 2407/4885HPGD 1495/4885SMN1; SMN2 3843/4885

“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.