SCHEMBL3800957

SCHEMBL3800957

NC1c2ccccc2-c2c(-c3cnc4ccccc4c3)cccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BIRC5 O15392 1/20 0.44
PDGFRB P09619 4/20 0.44
PDGFRA P16234 4/20 0.44
CYP2A6 P11509 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
BRD4 O60885 2/20 0.41
CREBBP Q92793 2/20 0.41
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
MAP4K4 O95819 1/20 0.40
CSNK1G2 P78368 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
MAP4K5 Q9Y4K4 1/20 0.40
NISCH Q9Y2I1 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL3800951 0.81 MAP4K4 (0.44) BIRC5PDGFRBPDGFRACYP2A6CA12
SCHEMBL27755759 0.80 PDGFRB (0.42) BIRC5PDGFRBPDGFRACYP2A6CA12
SCHEMBL3795301 0.74 CYP2A6 (0.38) CYP2A6CLK4CYP3A4CYP2C19DYRK1A
SCHEMBL1551599 0.74 BIRC5 (0.41) BIRC5PDGFRBPDGFRACYP2A6CA12
SCHEMBL9847771 0.73 ALDH1A1 (0.40) CYP2A6ALDH1A1TP53HSD17B10
SCHEMBL3798577 0.73 PDK2 (0.42) CYP2A6
SCHEMBL3800587 0.72 RAB9A (0.43) KDM4EMEN1ALDH1A1TP53CYP3A4
SCHEMBL27851922 0.72 BIRC5 (0.48) BIRC5PDGFRBPDGFRACYP2A6CA12
SCHEMBL2076411 0.72 CA12 (0.48) BIRC5PDGFRBPDGFRACYP2A6CA12
SCHEMBL2624503 0.72 PDGFRB (0.54) BIRC5PDGFRBPDGFRACYP2A6CA12

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 BIRC5 1225/4885PDGFRB 1772/4885PDGFRA 1464/4885

“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.