SCHEMBL6153369

SCHEMBL6153369

CC1(C)OCC(=CCn2cnc3c(Cl)nc(N)nc32)CO1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 18/20 0.45
HSP90AA1 P07900 17/20 0.45
HSP90B1 P14625 1/20 0.41
TRAP1 Q12931 1/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41

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
SCHEMBL6651365 0.82 ADORA2A (0.32)
SCHEMBL5930259 0.75 HSP90AB1 (0.45) HSP90AB1HSP90AA1HSP90B1TRAP1HDAC6
SCHEMBL5578416 0.74 HSP90AB1 (0.44) HSP90AB1HSP90AA1HSP90B1TRAP1HDAC6
SCHEMBL2054791 0.73 HSP90AB1 (0.52) HSP90AB1HSP90AA1HSP90B1TRAP1HDAC6
SCHEMBL27854926 0.72 CDK1 (0.71) HSP90AB1HSP90AA1HSP90B1TRAP1HDAC6
SCHEMBL9563423 0.71 HSP90AB1 (0.50) HSP90AB1HSP90AA1HSP90B1TRAP1HDAC6
SCHEMBL9563426 0.71 HSP90AB1 (0.50) HSP90AB1HSP90AA1HSP90B1TRAP1HDAC6
SCHEMBL10363003 0.71 HSP90AB1 (0.46) HSP90AB1HSP90AA1HSP90B1TRAP1
SCHEMBL10509936 0.70 AHCY (0.57) HSP90AB1HSP90AA1HSP90B1TRAP1HDAC6
SCHEMBL10509931 0.70 AHCY (0.57) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1068209-B1 PROCESS FOR THE PRODUCTION OF PURINE DERIVATIVES AND INTERMEDIATES THEREFOR NOVARTIS INT PHARM LTD (BM) 2005-09-14 EP disclosed
US-6806375-B2 SUCH AS FAMCICLOVIR AND PENCICLOVIR; REACTING A 2-AMINOPURINE WITH A 1,1-BIS(OXYMETHYL)-1-VINYLMETHYL CARBONATE, ESTER OR PHOSPHATE IN THE PRESENCE OF A PALLADIUM(0) CATALYST NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2004-10-19 US disclosed
EP-1068210-B1 PROCESS FOR THE PRODUCTION OF PURINE DERIVATIVES NOVARTIS INT PHARM LTD (BM) 2004-06-02 EP disclosed
US-20030130512-A1 Process for the production of purine derivatives and intermediates therefor DPT LABORATORIES, LTD. 2003-07-10 US disclosed
US-6555685-B1 Preparing purine derivatives, such as famiciclovir and penciclovir, by reacting, in the presence of a palladium catalyst and ligand; by-product inhibition; efficiency NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2003-04-29 US disclosed
US-6437125-B1 REARRANGEMENT OF N-7 ALKYL GROUP TO THE N-9; PALLADIUM CATALYST AND A (DIPHENYLPHOSPHINO)ALKANE; PENCICLOVIR AND FAMCICLOVIR NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2002-08-20 US disclosed
EP-1068209-A1 PROCESS FOR THE PRODUCTION OF PURINE DERIVATIVES AND INTERMEDIATES THEREFOR SMITHKLINE BEECHAM PLC (GB) 2001-01-17 EP disclosed
EP-1068210-A2 PROCESS FOR THE PRODUCTION OF PURINE DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2001-01-17 EP disclosed
WO-1999051604-A2 PROCESS FOR THE PRODUCTION OF PURINE DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1999-10-14 WO disclosed
WO-1999051603-A1 PROCESS FOR THE PRODUCTION OF PURINE DERIVATIVES AND INTERMEDIATES THEREFOR SMITHKLINE BEECHAM PLC (GB) 1999-10-14 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-20030130512-A1 Process for the production of purine derivatives and intermediates therefor TYMP, DPYD, PNP HSP90AB1 4738/4885HSP90AA1 4716/4885HSP90B1 4209/4885

“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.