SCHEMBL7916660

SCHEMBL7916660

CC(=O)OCCn1ncc2c(Cl)nc(Cl)nc21

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
HSP90AA1 P07900 2/20 0.36
TRAP1 Q12931 2/20 0.36
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL7919917 0.77 CYP1A2 (0.39) HSP90AA1TRAP1
SCHEMBL2786539 0.77 PDE1A (0.42) ALDH1A1HSP90AA1TRAP1
SCHEMBL21788663 0.76 ALDH1A1 (0.41) ALDH1A1HSP90AA1TRAP1LMNATP53
SCHEMBL17926576 0.75 HSP90AA1 (0.39) ALDH1A1HSP90AA1TRAP1MAPTTDP1
SCHEMBL30095837 0.75 PDE2A (0.39)
SCHEMBL11909416 0.75 KMO (0.46) ALDH1A1HSP90AA1TRAP1LMNATP53
SCHEMBL2189832 0.74 ADORA3 (0.43) ALDH1A1HSP90AA1TRAP1LMNATP53
SCHEMBL30748233 0.73
SCHEMBL12137539 0.72
SCHEMBL13896214 0.71 PDE2A (0.37) HSP90AA1TRAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2382207-B1 PI3K/MTOR KINASE INHIBITORS XCOVERY HOLDING CO LLC (US) 2015-04-29 EP disclosed
US-8586582-B2 PI3K/mTOR kinase inhibitors XCOVERY HOLDING COMPANY, LLC (US) 2013-11-19 US disclosed
US-8586582-B2 PI3K/mTOR kinase inhibitors XCOVERY HOLDING COMPANY, LLC (US) 2013-11-19 US disclosed
US-20110281857-A1 PI3K/MTOR KINASE INHIBITORS XCOVERY HOLDING COMPANY, LLC (US) 2011-11-17 US disclosed
US-20110281857-A1 PI3K/MTOR KINASE INHIBITORS XCOVERY HOLDING COMPANY, LLC (US) 2011-11-17 US disclosed
WO-2010056320-A2 PI3K/MTOR KINASE INHIBITORS TYROGENEX, INC. (US) 2010-05-20 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-20110281857-A1 PI3K/MTOR KINASE INHIBITORS MTOR, PIK3CA, PI4KA ALDH1A1 4705/4885HSP90AA1 1187/4885TRAP1 885/4885

“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.