SCHEMBL9952301

SCHEMBL9952301

Nc1cnn(CCc2ccncc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
LMNA P02545 2/20 0.45
HRH3 Q9Y5N1 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
LOXL2 Q9Y4K0 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP1A2 P05177 1/20 0.42
ALDH1A1 P00352 2/20 0.41
PKM P14618 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ERCC5 P28715 1/20 0.38
HRH1 P35367 2/20 0.38
CYP17A1 P05093 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 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
SCHEMBL1703251 0.84 MAPT (0.49) MAPTLMNAL3MBTL1ALDH1A1PKM
Hydrochloric Acid SCHEMBL3711080 0.83 MAPT (0.49) MAPTLMNAL3MBTL1ALDH1A1PKM
SCHEMBL1979091 0.82 MAPT (0.65) MAPTLMNAL3MBTL1LOXL2CYP3A4
SCHEMBL10195727 0.79 HRH3 (0.43) LMNAHRH3L3MBTL1TDP1LOXL2
SCHEMBL15317636 0.76 FLT1 (0.43) LMNAHRH3L3MBTL1TDP1LOXL2
SCHEMBL31224806 0.75 MAOB (0.47) MAPTLMNAL3MBTL1ALDH1A1PKM
SCHEMBL12479925 0.73 MAPT (0.50) MAPTLMNAL3MBTL1ALDH1A1PKM
SCHEMBL9951902 0.73 POLB (0.47) MAPTLMNAHRH3L3MBTL1ALDH1A1
SCHEMBL6941179 0.72 MAPK1 (0.58) L3MBTL1CYP3A4MEN1KMT2AMAPK1
SCHEMBL15317787 0.72 HRH3 (0.37) HRH3L3MBTL1TDP1LOXL2CYP3A4

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 13 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
CN-103429585-B Indazolyl triazole derivatives as interleukin-1 receptor associated kinase inhibitors MERCK SERONO SA 2015-07-08 CN 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
CN-103429585-A Indazolyl triazole derivatives as interleukin-1 receptor associated kinase inhibitors MERCK SERONO SA 2013-12-04 CN 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 MAPT 2022/4885LMNA 4562/4885HRH3 533/4885

“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.