SCHEMBL2077409

SCHEMBL2077409

Nc1ncc(Cl)c(C(=O)NC2c3ccccc3-c3c(-c4cnc5ccccc5c4)cccc32)n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 5/20 0.41
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
PIK3CA P42336 2/20 0.38
SERPINE1 P05121 1/20 0.36
KDR P35968 2/20 0.36
MMP9 P14780 2/20 0.35
AKT1 P31749 1/20 0.35
MTOR P42345 1/20 0.35
MAP4K4 O95819 1/20 0.35
CSNK1G2 P78368 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
MAP4K5 Q9Y4K4 1/20 0.35
PPIA P62937 1/20 0.35
PIK3CD O00329 1/20 0.34
MMP1 P03956 1/20 0.34
HSP90AA1 P07900 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
SCHEMBL2076734 0.79 HSP90AB1 (0.47) HSP90AB1PPIA
SCHEMBL10246329 0.79 HSP90AB1 (0.49) HSP90AB1PIK3CAKDRMMP9MAP4K4
SCHEMBL10244431 0.73 HSP90AB1 (0.67) HSP90AB1PIK3CASERPINE1MAP4K4CSNK1G2
SCHEMBL2077894 0.72 HSP90AB1 (0.39) HSP90AB1CNR1CNR2PIK3CASERPINE1
SCHEMBL3800951 0.72 MAP4K4 (0.44) CNR1CNR2MAP4K4CSNK1G2CLK4
SCHEMBL3800957 0.70 BIRC5 (0.44) CNR1CNR2PIK3CAMAP4K4CSNK1G2
SCHEMBL27755759 0.67 PDGFRB (0.42) CNR1CNR2PIK3CAMAP4K4CSNK1G2
SCHEMBL2605099 0.65 HSP90AB1 (0.66) HSP90AB1KDRAKT1MAP4K4CLK4
SCHEMBL2605039 0.64 HSP90AB1 (0.63) HSP90AB1KDR
SCHEMBL2079662 0.64 HSP90AB1 (0.66) HSP90AB1KDRMAP4K4CSNK1G2CLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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
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

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 HSP90AB1 3/4885CNR1 3789/4885CNR2 4210/4885

“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.