SCHEMBL10194804

SCHEMBL10194804

O=C(c1ccc(-n2cc(-c3n[nH]c4ccc(N5CCN6CCCC6C5)cc34)nn2)cc1)N1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 11/20 0.46
JAK2 O60674 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
RAD52 P43351 1/20 0.41
FGFR1 P11362 1/20 0.40
FLT1 P17948 1/20 0.40
LRRK2 Q5S007 2/20 0.40
HRH3 Q9Y5N1 1/20 0.40
L3MBTL3 Q96JM7 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPK10 P53779 1/20 0.38

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
SCHEMBL10194677 0.89 FLT3 (0.48) FLT3JAK2LRRK2MAPK10
SCHEMBL9958329 0.84 FLT3 (0.47) FLT3JAK2LRRK2HRH3MAPK10
SCHEMBL17850460 0.83 FLT3 (0.47) FLT3JAK2KDM4EALDH1A1MAPT
SCHEMBL17850436 0.82 FLT3 (0.43) FLT3JAK2LRRK2MAPK10
SCHEMBL10194715 0.82 PARP1 (0.47) KDM4EALDH1A1FGFR1FLT1HRH3
SCHEMBL10194993 0.81 FLT3 (0.46) FLT3JAK2LRRK2MAPK10
SCHEMBL10194763 0.81 JAK2 (0.50) FLT3JAK2KDM4EALDH1A1MAPT
SCHEMBL9951916 0.81 JAK2 (0.49) FLT3JAK2ALDH1A1MAPTLRRK2
SCHEMBL10194781 0.81 JAK2 (0.49) FLT3JAK2KDM4EALDH1A1MAPT
SCHEMBL10194757 0.81 JAK2 (0.49) FLT3JAK2KDM4EALDH1A1LRRK2

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 6 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
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 FLT3 282/4885JAK2 66/4885KDM4E 3415/4885

“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.