SCHEMBL10194941

SCHEMBL10194941

O=C(c1cccc(-n2cc(-c3n[nH]c4ccccc34)nn2)c1)N1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 2/20 0.46
ALDH1A1 P00352 4/20 0.45
GAA P10253 2/20 0.45
MAPK10 P53779 4/20 0.45
MAPK8 P45983 3/20 0.45
MGLL Q99685 2/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
HPGD P15428 4/20 0.43
MAPK1 P28482 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAP2K4 P45985 1/20 0.42
MAPKAPK3 Q16644 1/20 0.42
MAPK6 Q16659 1/20 0.42
KDM4E B2RXH2 1/20 0.42
KDM6B O15054 1/20 0.42
KDM5C P41229 1/20 0.42
KDM4C Q9H3R0 1/20 0.42

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
SCHEMBL10195701 0.89 FLT3 (0.53) FLT3ALDH1A1MAPK10MAPK8HPGD
SCHEMBL10194749 0.89 PARP1 (0.46) ALDH1A1MAPK10MAPK8MGLLRAB9A
SCHEMBL10195380 0.88 MGLL (0.42) FLT3ALDH1A1MAPK10MAPK8MGLL
SCHEMBL10194782 0.88 MAPK10 (0.53) FLT3ALDH1A1MAPK10MAPK8HPGD
SCHEMBL10194942 0.86 PARP1 (0.43) FLT3ALDH1A1MAPK10MAPK8MGLL
SCHEMBL9953146 0.83 POLB (0.42) FLT3ALDH1A1MAPK10MAPK8MEN1
SCHEMBL9952277 0.81 NPC1 (0.44) FLT3ALDH1A1MAPK10MAPK8MEN1
SCHEMBL10195379 0.81 MAPK8 (0.49) ALDH1A1GAAMAPK10MAPK8MEN1
SCHEMBL10194940 0.80 MAPK1 (0.42) MAPK1MAP2K4MAPKAPK3MAPK6KDM4E
SCHEMBL10195024 0.80 MAPK10 (0.52) FLT3ALDH1A1MAPK10MAPK8MEN1

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 7 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-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 282/4885ALDH1A1 875/4885GAA 3322/4885

“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.