SCHEMBL461745

SCHEMBL461745

Clc1n[nH]c2cccc(-c3cnc4ccccc4c3)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 3/20 0.51
▸ PDGFRA P16234 3/20 0.51
▸ BIRC5 O15392 1/20 0.43
▸ LRRK2 Q5S007 1/20 0.42
▸ PIM1 P11309 3/20 0.41
▸ PIM3 Q86V86 2/20 0.41
▸ PIM2 Q9P1W9 2/20 0.41
▸ CYP2A6 P11509 1/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ BRD4 O60885 2/20 0.40
▸ CREBBP Q92793 2/20 0.40
▸ GRM4 Q14833 1/20 0.40
▸ NISCH Q9Y2I1 1/20 0.40
▸ PIK3CD O00329 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ CSNK1G2 P78368 1/20 0.39
▸ CLK4 Q9HAZ1 1/20 0.39
▸ MKNK2 Q9HBH9 1/20 0.39

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
SCHEMBL462907 0.84 PDGFRA (0.51) PDGFRBPDGFRABIRC5LRRK2PIM1
SCHEMBL462976 0.84 PDGFRB (0.51) PDGFRBPDGFRABIRC5LRRK2PIM1
SCHEMBL462861 0.81 PDGFRB (0.48) PDGFRBPDGFRABIRC5LRRK2PIM1
SCHEMBL2182815 0.76 PDGFRB (0.60) PDGFRBPDGFRABIRC5PIM1PIM3
SCHEMBL1394258 0.74 METAP2 (0.60) PDGFRBPDGFRABIRC5PIM1PIM3
SCHEMBL1042969 0.74 PDGFRA (0.51) PDGFRBPDGFRABIRC5PIM1CYP2A6
SCHEMBL1045276 0.74 PDGFRB (0.61) PDGFRBPDGFRABIRC5PIM1PIM3
SCHEMBL17179205 0.72 PIM1 (0.60) PDGFRBPDGFRABIRC5LRRK2PIM1
SCHEMBL15367344 0.71 PDGFRB (0.51) PDGFRBPDGFRABIRC5PIM1CYP2A6
SCHEMBL23487541 0.71 PDGFRB (0.51) PDGFRBPDGFRABIRC5CYP2A6CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2408762-A1 HSP90 INHIBITING INDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF SANOFI (FR) 2012-01-25 — — EP disclosed
US-20120010241-A1 HSP90 INHIBITING INDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF SANOFI (FR) 2012-01-12 — — US disclosed
WO-2010106290-A1 HSP90 INHIBITING INDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF SANOFI-AVENTIS (FR) 2010-09-23 — — 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-20120010241-A1 HSP90 INHIBITING INDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF HSP90AB2P, HSP90AB1, HSP90AA1 PDGFRB 1416/4885PDGFRA 1508/4885BIRC5 2120/4885

“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.

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