SCHEMBL3144585

SCHEMBL3144585

Nc1ncc2ncn([Tl])c2n1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
ADRA1A P35348 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
MET P08581 1/20 0.31
IRAK4 Q9NWZ3 2/20 0.30
ROCK1 Q13464 1/20 0.30

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
SCHEMBL27303515 0.78 HDAC6 (0.40) HDAC6KDM4EALDH1A1HPGDADRA1A
SCHEMBL24453428 0.77 HDAC6 (0.41) HDAC6KDM4EALDH1A1HPGDADRA1A
SCHEMBL2983374 0.76 DYRK1A (0.46) HDAC6KDM4EALDH1A1HPGDADRA1A
SCHEMBL5034216 0.76 HDAC6 (0.40) HDAC6KDM4EALDH1A1HPGDADRA1A
SCHEMBL5942179 0.76 HDAC6 (0.43) HDAC6KDM4EALDH1A1HPGDADRA1A
SCHEMBL27944268 0.76 HSP90AA1 (0.41) HDAC6KDM4EALDH1A1HPGDADRA1A
SCHEMBL28016406 0.76 KDM4E (0.42) HDAC6KDM4EALDH1A1HPGDADRA1A
SCHEMBL27641128 0.74 KDM4E (0.41) HDAC6KDM4EALDH1A1HPGDADRA1A
SCHEMBL28384782 0.73 KDM4E (0.40) HDAC6KDM4EALDH1A1HPGDADRA1A
SCHEMBL14642669 0.72 CDK1 (0.56) HDAC6KDM4EALDH1A1HPGDADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1551839-B1 PROCESS FOR PREPARING 9-¬4-ACETOXY-3-(ACETOXYMETHYL)BUT-1-YL -2-AMINOPURINE KYUNGDONG PHARM CO LTD (KR) 2010-02-17 EP disclosed
US-7041823-B2 Process for preparing 9-[4-acetoxy-3-(acetoxymethyl)but-1-yl]-2-aminopurine KYUNGDONG PHARM. CO., LTD. (KR) 2006-05-09 US disclosed
US-20050222413-A1 Process for preparing 9-[4-acetoxy-3-(acetoxymethyl)but-1-yl]-2-aminopurine KYUNGDONG PHARM CO., LTD. (KR) 2005-10-06 US disclosed
EP-1551839-A1 PROCESS FOR PREPARING 9-[4-ACETOXY-3-(ACETOXYMETHYL)BUT-1-YL]-2-AMINOPURINE Kyungdong Pharm. Co., Ltd. (KR) 2005-07-13 EP disclosed
WO-2004007497-A1 PROCESS FOR PREPARING 9-[4-ACETOXY-3-(ACETOXYMETHYL)BUT-1-YL]-2-AMINOPURINE KYUNGDONG PHARM. CO., LTD. (KR) 2004-01-22 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 (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-20050222413-A1 Process for preparing 9-[4-acetoxy-3-(acetoxymethyl)but-1-yl]-2-aminopurine TPMT, TYMP, MTAP HDAC6 1916/4885KDM4E 370/4885ALDH1A1 314/4885

“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.