SCHEMBL4094452

SCHEMBL4094452

CC(Oc1ccc2cc(-c3nn(C4CCCCO4)c4ccc(C#N)cc34)ccc2c1)C1CCCN1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CMKLR1 Q99788 3/20 0.37
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
SCN9A Q15858 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
PFKFB2 O60825 5/20 0.32
PFKFB1 P16118 5/20 0.32
PFKFB3 Q16875 5/20 0.32
FLT3 P36888 1/20 0.32
SYK P43405 1/20 0.32
AURKB Q96GD4 1/20 0.32
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
ATR Q13535 1/20 0.31
SLC22A12 Q96S37 2/20 0.31
RET P07949 2/20 0.30
PDE9A O76083 1/20 0.30

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
SCHEMBL4089146 0.98 CMKLR1 (0.37) CMKLR1RXRARXRBRXRGSCN9A
SCHEMBL4080214 0.91 SCN9A (0.35) CMKLR1RXRARXRBRXRGSCN9A
SCHEMBL5381479 0.90 CMKLR1 (0.34) CMKLR1PTGDR2FLT3SYKAURKB
SCHEMBL4183229 0.90 CMKLR1 (0.36) CMKLR1RXRARXRBRXRGPTGDR2
SCHEMBL4088673 0.86 CMKLR1 (0.37) CMKLR1RXRARXRBRXRGPTGDR2
SCHEMBL4094652 0.85 RAB9A (0.37) CMKLR1RXRARXRBRXRGATR
SCHEMBL4079783 0.83 CMKLR1 (0.36) CMKLR1RXRARXRBRXRGATR
SCHEMBL4089935 0.82 CMKLR1 (0.40) CMKLR1RXRARXRBRXRGPTGDR2
SCHEMBL5378043 0.81 RXRA (0.38) CMKLR1RXRARXRBRXRGATR
SCHEMBL4084335 0.80 RXRA (0.42) CMKLR1RXRARXRBRXRGATR

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 CMKLR1 1073/4885RXRA 2265/4885RXRB 2226/4885
US-20060004043-A1 Indazole compounds and methods of use thereof WNT3, WNT3A, WNK3 CMKLR1 1136/4885RXRA 2170/4885RXRB 2113/4885

“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.