SCHEMBL10194985

SCHEMBL10194985

COc1cc(-n2cc(-c3n[nH]c4ccccc34)nn2)ccc1C1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.42
MAPK8 P45983 1/20 0.42
MAPK9 P45984 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.42
ITK Q08881 2/20 0.39
PIM1 P11309 2/20 0.38
PIM3 Q86V86 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
HTR1A P08908 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
MIF P14174 1/20 0.36
JUND P17535 1/20 0.35
FOSB P53539 1/20 0.35
ADRB2 P07550 1/20 0.34
P2RY14 Q15391 2/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34

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
SCHEMBL10194980 0.83 HTR2C (0.42) HTR2CMAPK8MAPK9IRAK4PIM1
SCHEMBL10195395 0.81 P2RY14 (0.46) MAPK8MAPK9IRAK4P2RY14ADRA2A
Hydrochloric Acid SCHEMBL9959222 0.80 P2RY14 (0.46) MAPK8MAPK9IRAK4P2RY14ADRA2A
SCHEMBL10194878 0.78 P2RY14 (0.44) MAPK8MAPK9IRAK4P2RY14ADRA2A
SCHEMBL17850434 0.78 FGFR1 (0.41) MAPK8MAPK9IRAK4ITKPIM1
SCHEMBL9951964 0.77 STIM1 (0.41) IRAK4ITKPIM1MIFGRM4
SCHEMBL9952459 0.76 NOTUM (0.45) ITKPIM1FGFR1
Tert-Butyl Formate SCHEMBL27945225 0.76 P2RY14 (0.43) MAPK8MAPK9IRAK4P2RY14ADRA2A
SCHEMBL9953228 0.75 NPC1 (0.39) ITKPIM1TRPV1MIF
SCHEMBL10194817 0.75 IRAK4 (0.43) HTR2CMAPK8MAPK9IRAK4PIM1

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 HTR2C 3935/4885MAPK8 1091/4885MAPK9 1484/4885

“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.