SCHEMBL4084768

SCHEMBL4084768

N#Cc1ccc2c(c1)c(-c1ccc3cc(C(N)=O)ccc3c1)nn2C1CCCCO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.40
JAK1 P23458 2/20 0.40
TYK2 P29597 2/20 0.40
JAK3 P52333 2/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
CHEK2 O96017 3/20 0.36
FPR2 P25090 1/20 0.35
SCN9A Q15858 1/20 0.35
KDM2B Q8NHM5 3/20 0.35
CMKLR1 Q99788 1/20 0.34
MYC P01106 2/20 0.34
NSD2 O96028 1/20 0.34
ATR Q13535 2/20 0.34
BTK Q06187 1/20 0.34
HTR1A P08908 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
SLC6A4 P31645 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
SCHEMBL4084335 0.93 RXRA (0.42) RXRARXRBRXRGKDM2BCMKLR1
SCHEMBL5824069 0.89 USP30 (0.39) JAK2JAK1TYK2JAK3BTK
SCHEMBL4090008 0.89 CDK1 (0.39) RXRARXRBRXRG
SCHEMBL4080192 0.87 RXRA (0.39) RXRARXRBRXRGCMKLR1ATR
SCHEMBL5378043 0.87 RXRA (0.38) RXRARXRBRXRGCMKLR1ATR
SCHEMBL4089930 0.87 RXRA (0.38) RXRARXRBRXRGKDM2BCMKLR1
SCHEMBL4084834 0.87 EGLN1 (0.40) RXRARXRBRXRGBTKDGAT2
SCHEMBL4083268 0.85 RXRA (0.37) RXRARXRBRXRGCMKLR1ATR
SCHEMBL4080434 0.85 RXRA (0.37) RXRARXRBRXRGCMKLR1ATR
SCHEMBL4094652 0.84 RAB9A (0.37) RXRARXRBRXRGCMKLR1ATR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2065383-A1 Indazole compounds and methods of use thereof as protein kinase inhibitors Signal Pharmaceuticals, Inc. (US) 2009-06-03 EP disclosed
US-20090099178-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF BHAGWAT SHRIPAD S 2009-04-16 US disclosed
EP-1692128-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF AS PROTEIN KINASE INHIBITORS Signal Pharmaceuticals LLC (US) 2006-08-23 EP disclosed
US-20060004043-A1 Indazole compounds and methods of use thereof BHAGWAT SHRIPAD S 2006-01-05 US disclosed
WO-2005051942-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF AS PROTEIN KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2005-06-09 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 (2 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-20090099178-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF WNT3, WNT3A, WNK3 JAK2 327/4885JAK1 373/4885TYK2 402/4885
US-20060004043-A1 Indazole compounds and methods of use thereof WNT3, WNT3A, WNK3 JAK2 270/4885JAK1 343/4885TYK2 412/4885

“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.