SCHEMBL385552

SCHEMBL385552

Nc1nc(Cl)c2ncn(CCOCP)c2n1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 18/20 0.49
HSP90AA1 P07900 17/20 0.49
HSP90B1 P14625 1/20 0.46
TRAP1 Q12931 1/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46

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
SCHEMBL215612 0.86 CDK1 (0.57) HSP90AB1HSP90AA1
SCHEMBL30759944 0.82 FGFR1 (0.63) HSP90AB1HSP90AA1HDAC6HDAC4HDAC1
SCHEMBL1566036 0.82 FGFR1 (0.63) HSP90AB1HSP90AA1HDAC6HDAC4HDAC1
SCHEMBL31167347 0.80 HSP90AB1 (0.44) HSP90AB1HSP90AA1HSP90B1TRAP1HDAC6
SCHEMBL217726 0.80 POLB (0.45)
SCHEMBL2098713 0.79 HSP90AB1 (0.53) HSP90AB1HSP90AA1HSP90B1TRAP1HDAC6
SCHEMBL2916205 0.79 HSP90AB1 (0.53) HSP90AB1HSP90AA1HSP90B1TRAP1HDAC6
SCHEMBL31058755 0.79 HDAC6 (0.54) HSP90AB1HSP90AA1HDAC6HDAC4HDAC1
SCHEMBL24316894 0.78 POLB (0.56) HSP90AB1HSP90AA1HSP90B1TRAP1HDAC6
SCHEMBL6837990 0.78 HSP90AB1 (0.43) HSP90AB1HSP90AA1HSP90B1TRAP1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831235-B1 LUNG-TARGETED DRUGS UNIV CALIFORNIA (US) 2013-02-20 EP disclosed
US-8318700-B2 Lung-targeted drugs THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-11-27 US disclosed
US-20120122818-A1 LUNG-TARGETED DRUGS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-05-17 US disclosed
US-8101745-B2 Conjugate cidofovir, idoxuridine, vidarabine, trifluridine, acyclovir, famciclovir penciclovir, valacyclovir, ganciclovir, antiviral, antimicrobial, cancer drug of interest to glycerol ethers or glycerol phosphate ethers THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-01-24 US disclosed
US-20080221061-A1 Lung-Targeted Drugs THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-09-11 US disclosed
EP-1831235-A2 LUNG-TARGETED DRUGS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-09-12 EP disclosed
WO-2006066074-A2 LUNG-TARGETED DRUGS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-06-22 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 (2 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-20080221061-A1 Lung-Targeted Drugs DGKG, GK, PHOSPHO1 HSP90AB1 825/4885HSP90AA1 1180/4885HSP90B1 295/4885
US-20120122818-A1 LUNG-TARGETED DRUGS DGKG, GK, PHOSPHO1 HSP90AB1 825/4885HSP90AA1 1180/4885HSP90B1 295/4885

“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.