SCHEMBL1394258

SCHEMBL1394258

c1ccc2ncc(-c3cccc4[nH]ncc34)cc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 2/20 0.60
▸ PDGFRB P09619 3/20 0.58
▸ PDGFRA P16234 3/20 0.58
▸ BRD4 O60885 2/20 0.49
▸ ABL1 P00519 2/20 0.46
▸ FLT3 P36888 2/20 0.46
▸ BIRC5 O15392 1/20 0.46
▸ TOP2A P11388 1/20 0.44
▸ TOP2B Q02880 1/20 0.44
▸ AURKA O14965 1/20 0.44
▸ ROCK2 O75116 1/20 0.44
▸ ERBB2 P04626 1/20 0.44
▸ CSF1R P07333 1/20 0.44
▸ FLT1 P17948 1/20 0.44
▸ RPS6KB1 P23443 1/20 0.44
▸ TYK2 P29597 1/20 0.44
▸ AKT1 P31749 1/20 0.44
▸ FLT4 P35916 1/20 0.44
▸ KDR P35968 1/20 0.44
▸ RPS6KA3 P51812 1/20 0.44

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
SCHEMBL2198777 0.80 PDGFRB (0.60) PDGFRBPDGFRABRD4BIRC5TOP2A
SCHEMBL30547072 0.80 PDGFRB (0.60) PDGFRBPDGFRABRD4BIRC5TOP2A
SCHEMBL1045337 0.78 PDGFRB (0.56) PDGFRBPDGFRABRD4BIRC5TOP2A
SCHEMBL14784319 0.76 METAP2 (1.00) METAP2BRD4FLT3AURKAROCK2
SCHEMBL27833818 0.76 PDGFRB (0.60) PDGFRBPDGFRABRD4BIRC5TOP2A
SCHEMBL2182815 0.76 PDGFRB (0.60) PDGFRBPDGFRABRD4BIRC5TOP2A
SCHEMBL29937408 0.75 METAP2 (0.54) METAP2BRD4PIK3CDHSP90AA1IDO1
SCHEMBL21514162 0.75 METAP2 (0.66) METAP2BRD4CREBBPHSP90AA1IDO1
SCHEMBL17179205 0.75 PIM1 (0.60) PDGFRBPDGFRABIRC5TOP2ATOP2B
SCHEMBL462907 0.74 PDGFRA (0.51) PDGFRBPDGFRABRD4BIRC5KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102439003-A Indazole derivatives inhibiting HSP90, compositions containing said derivatives and uses thereof SANOFI AVENTIS 2012-05-02 — — CN disclosed
US-20120010241-A1 HSP90 INHIBITING INDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF SANOFI (FR) 2012-01-12 — — 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-20120010241-A1 HSP90 INHIBITING INDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF HSP90AB2P, HSP90AB1, HSP90AA1 METAP2 4160/4885PDGFRB 1416/4885PDGFRA 1508/4885

“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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