SCHEMBL9952277

SCHEMBL9952277

O=C(CCc1cccc(-n2cc(-c3n[nH]c4ccccc34)nn2)c1)N1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
KMT2A Q03164 2/20 0.41
CYP4F2 P78329 3/20 0.40
CYP4A11 Q02928 3/20 0.40
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
FLT3 P36888 1/20 0.39
KDM5C P41229 3/20 0.39
KDM4C Q9H3R0 3/20 0.39
KDM2A Q9Y2K7 3/20 0.39
KDM4A O75164 2/20 0.39
PARP1 P09874 1/20 0.39
KDM6B O15054 1/20 0.39
KDM3A Q9Y4C1 1/20 0.39
NAAA Q02083 1/20 0.39
CDC7 O00311 1/20 0.39
ROCK2 O75116 1/20 0.39
MAP4K4 O95819 1/20 0.39
PIM1 P11309 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
SCHEMBL9951810 0.92 FKBP1A (0.47) KMT2ACYP4F2CYP4A11CDC7ALDH1A1
SCHEMBL9953146 0.91 POLB (0.42) KMT2ACDK1CCNB1FLT3KDM5C
SCHEMBL10194815 0.90 NPC1 (0.46) NPC1TDP1KMT2AKDM5CKDM4C
SCHEMBL9952518 0.87 CDC7 (0.44) NPC1KMT2ACDK1CDC7ROCK2
SCHEMBL17850384 0.84 ROCK1 (0.40) CDK1CCNB1FLT3KDM5CKDM4C
SCHEMBL10194875 0.84 FGFR1 (0.42) CDC7ROCK2MAP4K4PIM1CDK2
SCHEMBL10194865 0.83 MAPK10 (0.42) CDK1CCNB1FLT3PARP1CDC7
SCHEMBL10194885 0.83 LRRK2 (0.43) KMT2APARP1CDC7MAPK10
SCHEMBL10194695 0.82 FGFR1 (0.45) CDC7ROCK2MAP4K4PIM1CDK2
SCHEMBL10194814 0.82 ROCK1 (0.43) NPC1ROCK2ALDH1A1MAPK8MAPK10

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 NPC1 826/4885TDP1 3646/4885KMT2A 3615/4885

“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.