SCHEMBL2916205

SCHEMBL2916205

Nc1nc(Cl)c2ncn(CCBr)c2n1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 16/20 0.53
HSP90AA1 P07900 15/20 0.53
HDAC6 Q9UBN7 4/20 0.51
HDAC1 Q13547 3/20 0.51
HDAC4 P56524 1/20 0.51
HSP90B1 P14625 1/20 0.48
TRAP1 Q12931 1/20 0.48

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
SCHEMBL27863480 0.91 HSP90AB1 (0.51) HSP90AB1HSP90AA1HDAC6HDAC1HDAC4
SCHEMBL2098713 0.84 HSP90AB1 (0.53) HSP90AB1HSP90AA1HDAC6HDAC1HDAC4
SCHEMBL31058755 0.84 HDAC6 (0.54) HSP90AB1HSP90AA1HDAC6HDAC1HDAC4
SCHEMBL5023964 0.84 CCNE1 (0.66) HSP90AB1HSP90AA1
SCHEMBL5172274 0.82 ADORA2A (0.55) HSP90AB1HSP90AA1
SCHEMBL19245704 0.81 HSP90AB1 (0.56) HSP90AB1HSP90AA1HDAC6HDAC1HDAC4
SCHEMBL27854926 0.81 CDK1 (0.71) HSP90AB1HSP90AA1HDAC6HDAC1HDAC4
SCHEMBL24941702 0.81 TK1 (0.60) HSP90AB1HSP90AA1HDAC6HDAC1HDAC4
SCHEMBL4847394 0.81 HSP90AB1 (0.53) HSP90AB1HSP90AA1
SCHEMBL31187469 0.79 HDAC6 (0.49) HSP90AB1HSP90AA1HDAC6HDAC1HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108314685-B Preparation method of 2-amino-6-chloro-9- (4-acetoxyl-3-acetoxymethyl butyl) purine 上药康丽(常州)药业有限公司 2020-08-25 CN claimed
WO-2023176466-A1 VIRUS DETECTION METHOD 国立大学法人九州工業大学 2023-09-21 WO disclosed
CN-108314685-B Preparation method of 2-amino-6-chloro-9- (4-acetoxyl-3-acetoxymethyl butyl) purine 上药康丽(常州)药业有限公司 2020-08-25 CN disclosed
CN-108314685-B Preparation method of 2-amino-6-chloro-9- (4-acetoxyl-3-acetoxymethyl butyl) purine 上药康丽(常州)药业有限公司 2020-08-25 CN disclosed
CN-108484605-B Preparation method of 2-amino-6-chloro-9- (4-acetoxyl-3-acetoxymethyl butyl) purine 上药康丽(常州)药业有限公司 2020-08-21 CN disclosed
EP-1883639-B1 PREPARATION OF FAMCICLOVIR AND OTHER PURINE DERIVATIVES ARROW INT LTD (MT) 2010-09-01 EP disclosed
EP-1883639-B1 PREPARATION OF FAMCICLOVIR AND OTHER PURINE DERIVATIVES ARROW INT LTD (MT) 2010-09-01 EP disclosed
US-7601835-B2 Preparation of famciclovir and other purine derivatives ARROW INTERNATIONAL LIMITED (MT) 2009-10-13 US disclosed
US-7601835-B2 Preparation of famciclovir and other purine derivatives ARROW INTERNATIONAL LIMITED (MT) 2009-10-13 US disclosed
US-7601835-B2 Preparation of famciclovir and other purine derivatives ARROW INTERNATIONAL LIMITED (MT) 2009-10-13 US disclosed
EP-1883639-A1 PREPARATION OF FAMCICLOVIR AND OTHER PURINE DERIVATIVES Arrow International Limited (MT) 2008-02-06 EP disclosed
US-20060264629-A1 Preparation of famciclovir and other purine derivatives ARROW INTERNATIONAL LIMITED (MT) 2006-11-23 US disclosed
WO-2006123175-A1 PREPARATION OF FAMCICLOVIR AND OTHER PURINE DERIVATIVES ARROW INTERNATIONAL LIMITED (MT) 2006-11-23 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-20060264629-A1 Preparation of famciclovir and other purine derivatives PNP, TYMP, DCTD HSP90AB1 4605/4885HSP90AA1 4609/4885HDAC6 3872/4885

“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.