SCHEMBL4940573

SCHEMBL4940573

COc1ccc(-c2nnc(O)n2-c2ccccc2F)c(O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.45
PIK3CD O00329 1/20 0.44
PIK3CB P42338 1/20 0.44
PDE2A O00408 1/20 0.41
PDE10A Q9Y233 1/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 2/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
PTPN1 P18031 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
SCHEMBL4941844 0.90 KDM4E (0.46) HSP90AA1PDE2APDE10AKDM4EGAA
SCHEMBL4936858 0.85 HSP90AA1 (0.60) HSP90AA1KDM4EGAAMAPTL3MBTL1
SCHEMBL3310440 0.78 HSP90AA1 (0.42) HSP90AA1KDM4EGAASMN1; SMN2MEN1
SCHEMBL4940445 0.77 HSP90AA1 (0.49) HSP90AA1MAPTLMNA
SCHEMBL4941855 0.77 PDE2A (0.42) HSP90AA1PDE2APDE10AKDM4EGAA
SCHEMBL930881 0.76 HSP90AA1 (0.50) HSP90AA1PDE2APDE10AKDM4EGAA
SCHEMBL4936564 0.76 ALDH1A1 (0.43) HSP90AA1KDM4EMAPTL3MBTL1LMNA
SCHEMBL4941329 0.75 HSP90AA1 (0.62) HSP90AA1
SCHEMBL1630519 0.73 HSP90AA1 (0.60) HSP90AA1PIK3CDPIK3CBPDE10AKDM4E
SCHEMBL3310378 0.73 KDM4E (0.43) KDM4EMAPTL3MBTL1LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080182857-A1 Triazole Derivatives MERCK PATENT GMBH (DE) 2008-07-31 US claimed
EP-1853570-A2 HSP90-INHIBITING TRIAZOLE DERIVATIVES Merck Patent GmbH (DE) 2007-11-14 EP claimed
WO-2006087077-A2 HSP90-INHIBITING TRIAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2006-08-24 WO claimed
US-8618285-B2 Triazole derivatives MERCK PATENT GMBH (DE) 2013-12-31 US disclosed
EP-1853570-B1 HSP90-INHIBITING TRIAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2012-10-24 EP disclosed
US-20080182857-A1 Triazole Derivatives MERCK PATENT GMBH (DE) 2008-07-31 US disclosed
EP-1853570-A2 HSP90-INHIBITING TRIAZOLE DERIVATIVES Merck Patent GmbH (DE) 2007-11-14 EP disclosed
WO-2006087077-A2 HSP90-INHIBITING TRIAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2006-08-24 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-20080182857-A1 Triazole Derivatives HSP90AB1, HSP90AA1, HSP90B1 HSP90AA1 2/4885PIK3CD 3662/4885PIK3CB 3626/4885

“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.