SCHEMBL2076069

SCHEMBL2076069

N[C@@H]1c2ccccc2-c2c(-c3ncc[nH]3)cccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.50
TYRO3 Q06418 1/20 0.50
DYRK1B Q9Y463 1/20 0.50
NISCH Q9Y2I1 2/20 0.42
MTOR P42345 1/20 0.42
ADK P55263 1/20 0.42
ADRA2A P08913 3/20 0.37
IDO1 P14902 1/20 0.37
ADRA1A P35348 5/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
HSP90AB1 P08238 4/20 0.34
SCN9A Q15858 1/20 0.33
PARP1 P09874 1/20 0.33
ADRA1D P25100 2/20 0.32
ADRA1B P35368 2/20 0.32
ADRA2B P18089 1/20 0.32

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
SCHEMBL2076070 1.00 CSNK1A1 (0.50) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL3797695 0.79 CSNK1A1 (0.58) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL4077067 0.79 CSNK1A1 (0.58) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL27776602 0.78 CSNK1A1 (0.47) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL27776598 0.76 CSNK1A1 (0.45) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL28382846 0.76 CSNK1A1 (0.56) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL9287236 0.74 NISCH (0.64) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL14886293 0.74 CSNK1A1 (0.54) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL14886257 0.72 NISCH (0.61) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL2311652 0.72 HSP90AB1 (0.61) ALDH1A1HSP90AB1

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-2078009-B1 NEW FLUORENE DERIVATIVES, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF AS INHIBITORS OF THE PROTEIN CHAPERONE HSP 90 SANOFI SA (FR) 2015-03-18 EP disclosed
US-8163750-B2 Fluorene derivatives, compositions containing the same and use thereof as inhibitors of the protein chaperone HSP 90 SANOFI-AVENTIS (FR) 2012-04-24 US disclosed
US-20100130503-A1 NEW FLUORENE DERIVATIVES, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF AS INHIBITORS OF THE PROTEIN CHAPERONE HSP 90 SANOFI-AVENTIS (FR) 2010-05-27 US disclosed
EP-2078009-A1 NEW FLUORENE DERIVATIVES, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF AS INHIBITORS OF THE PROTEIN CHAPERONE HSP 90 Sanofi-Aventis (FR) 2009-07-15 EP disclosed
WO-2008049994-A1 NEW FLUORENE DERIVATIVES, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF AS INHIBITORS OF THE PROTEIN CHAPERONE HSP 90 SANOFI-AVENTIS (FR) 2008-05-02 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-20100130503-A1 NEW FLUORENE DERIVATIVES, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF AS INHIBITORS OF THE PROTEIN CHAPERONE HSP 90 HSP90AB2P, HSPA2, HSP90AB1 CSNK1A1 1212/4885TYRO3 4008/4885DYRK1B 4023/4885

“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.