SCHEMBL9952279

SCHEMBL9952279

CN1CCC(NC(=O)c2ccc(-n3cc(-c4n[nH]c5ccccc45)nn3)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 8/20 0.48
CHEK1 O14757 1/20 0.45
WNT1 P04628 5/20 0.45
AURKB Q96GD4 2/20 0.43
AURKA O14965 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MAPK8 P45983 1/20 0.41
ACKR3 P25106 1/20 0.41
USP30 Q70CQ3 1/20 0.41
FLT3 P36888 2/20 0.41
DCLK1 O15075 1/20 0.41
PDPK1 O15530 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
CHEK2 O96017 1/20 0.41
PIM1 P11309 1/20 0.41
MAPK1 P28482 1/20 0.41
AXL P30530 1/20 0.41
FLT4 P35916 1/20 0.41

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
SCHEMBL10195031 0.93 CHEK1 (0.52) CHEK1NPC1RAB9AMAPK8USP30
SCHEMBL10194778 0.85 DGAT2 (0.43) CHEK1MAPK8FLT3
SCHEMBL9952422 0.83 GSK3B (0.51) DYRK1AFLT3
SCHEMBL10195025 0.82 FLT3 (0.51) MAPK8FLT3MAPK1CSNK1D
SCHEMBL10194730 0.82 ITK (0.49) MAPK8ACKR3FLT3
SCHEMBL9952109 0.81 FLT3 (0.49) DYRK1ACHEK1WNT1NPC1RAB9A
SCHEMBL9952297 0.81 ACKR3 (0.56) NPC1RAB9AMAPK8ACKR3FLT3
SCHEMBL10194956 0.81 FGFR1 (0.44) MAPK8FLT3MAPK9PRKAA1
SCHEMBL10194751 0.80 ITK (0.52) MAPK8FLT3
SCHEMBL10195022 0.80 MAPK8 (0.48) AURKAMAPK8FLT3MAPK1

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 12 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
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 DYRK1A 3535/4885CHEK1 3060/4885WNT1 3291/4885

“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.