SCHEMBL3800951

SCHEMBL3800951

NC(=O)C1c2ccccc2-c2c(-c3cnc4ccccc4c3)cccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.44
CSNK1G2 P78368 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
MAP4K5 Q9Y4K4 1/20 0.44
HSP90AA1 P07900 5/20 0.41
CYP2A6 P11509 1/20 0.41
AKR1C3 P42330 2/20 0.41
AKR1C2 P52895 2/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
BRD4 O60885 2/20 0.40
CREBBP Q92793 2/20 0.40
PDGFRB P09619 3/20 0.40
PDGFRA P16234 3/20 0.40
BIRC5 O15392 1/20 0.40

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
SCHEMBL3795696 0.81 CDK8 (0.53) MAP4K4CSNK1G2CLK4MKNK2MAP4K5
SCHEMBL3800957 0.81 BIRC5 (0.44) MAP4K4CSNK1G2CLK4MKNK2MAP4K5
SCHEMBL3791962 0.80 HSP90AA1 (0.42) HSP90AA1
SCHEMBL3795296 0.79 ATM (0.38) MAP4K4CYP2A6
SCHEMBL27755759 0.78 PDGFRB (0.42) MAP4K4CSNK1G2CLK4MKNK2MAP4K5
SCHEMBL1551642 0.77 MAP4K4 (0.41) MAP4K4CSNK1G2CLK4MKNK2MAP4K5
SCHEMBL3798573 0.77 PDK2 (0.41)
SCHEMBL3800585 0.76 MEN1 (0.41) MGAM
SCHEMBL31127659 0.73 PARP1 (0.54) MAP4K4CSNK1G2CLK4MKNK2MAP4K5
SCHEMBL995473 0.73 PARP1 (0.54) MAP4K4CSNK1G2CLK4MKNK2MAP4K5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed

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 MAP4K4 3212/4885CSNK1G2 1184/4885CLK4 4423/4885

“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.