SCHEMBL3156963

SCHEMBL3156963

CCOC(=O)C(CCn1cnc2cnc(N)nc21)C(=O)OCC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.67
ALDH1A1 P00352 1/20 0.67
HPGD P15428 1/20 0.67
ADRA1A P35348 1/20 0.67
HSD17B10 Q99714 1/20 0.67
RXFP1 Q9HBX9 1/20 0.67
HDAC6 Q9UBN7 2/20 0.45
HSP90AA1 P07900 2/20 0.41
HSP90AB1 P08238 1/20 0.41
RPS6KA3 P51812 1/20 0.38
POLB P06746 1/20 0.36
CYP2C19 P33261 1/20 0.36
TNF P01375 2/20 0.36
TDP1 Q9NUW8 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
EP300 Q09472 3/20 0.35
F10 P00742 2/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34

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
SCHEMBL14010827 0.92 KDM4E (0.61) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL7456549 0.89 KDM4E (0.68) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL7453112 0.87 KDM4E (0.65) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL14227941 0.82 KDM4E (0.57) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL1875159 0.81 KDM4E (0.80) KDM4EALDH1A1HPGDADRA1AHSD17B10
Famciclovir SCHEMBL8190642 0.80 KDM4E (1.00) KDM4EALDH1A1HPGDADRA1AHSD17B10
Famciclovir SCHEMBL29357294 0.80 KDM4E (1.00) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL7816738 0.80 KDM4E (0.56) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL13645718 0.80 HSP90AB1 (0.51) HDAC6HSP90AA1HSP90AB1CYP2C19
Famciclovir SCHEMBL2949 0.80 KDM4E (1.00) KDM4EALDH1A1HPGDADRA1AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1883639-B1 PREPARATION OF FAMCICLOVIR AND OTHER PURINE DERIVATIVES ARROW INT LTD (MT) 2010-09-01 EP disclosed
EP-1636231-B1 METHODS FOR PREPARING 9-[4-ACETOXY-3-(ACETOXYMETHYL)BUT-1-YL]-2-AMINOPURINE USING A COMPOUND OF 2-AMINO-9-(2-SUBSTITUTED ETHYL)PURINES KYUNGDONG PHARM CO LTD (KR) 2010-03-24 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
CN-100455583-C 2-amino-9- (2-substituted ethyl) purines and methods of using same to prepare 9- [ 4-acetoxy-3- (acetoxymethyl) butan-1-yl ] -2-aminopurine KYUNGDONG PHARM CO LTD (KR) 2009-01-28 CN disclosed
US-7456282-B2 2-amino-9-(2-substituted ethyl)purines and preparing methods for 9-[4-acetoxy-3-(acetoxymethyl)but-1-yl]-2-aminopurine using the same KYUNGDONG PHARM. CO., LTD. (KR) 2008-11-25 US disclosed
US-7456282-B2 2-amino-9-(2-substituted ethyl)purines and preparing methods for 9-[4-acetoxy-3-(acetoxymethyl)but-1-yl]-2-aminopurine using the same KYUNGDONG PHARM. CO., LTD. (KR) 2008-11-25 US disclosed
US-7456282-B2 2-amino-9-(2-substituted ethyl)purines and preparing methods for 9-[4-acetoxy-3-(acetoxymethyl)but-1-yl]-2-aminopurine using the same KYUNGDONG PHARM. CO., LTD. (KR) 2008-11-25 US disclosed
US-7355043-B2 Preparation of purines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2008-04-08 US disclosed
US-20060258862-A1 2-Amino-9-(2-substituted ethyl)purines and preparing methods for 9-[4-acetoxy-3-(acetoxymethyl)but-1-yl]-2-aminopurine using the same KYUNGDONG PHARM. CO., LTD. (KR) 2006-11-16 US disclosed
CN-1791602-A 2-amino-9-(2-substituted ethyl)purines and preparing methods for 9- 4-acetoxy-3-(acetoxymethyl)but-1-yl]- 2- aminopurine using the same KYUNGDONG PHARM CO LTD (KR) 2006-06-21 CN disclosed
EP-1636231-A2 2-AMINO-9-(2-SUBSTITUTED ETHYL)PURINES AND PREPARING METHODS FOR 9- 4-ACETOXY-3-(ACETOXYMETHYL)BUT-1-YL]- 2- AMINOPURINE USING THE SAME Kyungdong Pharm. Co., Ltd. (KR) 2006-03-22 EP disclosed
WO-2004110343-A2 2-AMINO-9-(2-SUBSTITUTED ETHYL)PURINES AND PREPARING METHODS FOR 9-[4-ACETOXY-3-(ACETOXYMETHYL)BUT-1-YL]- 2- AMINOPURINE USING THE SAME KYUNGDONG PHARM. CO., LTD. (KR) 2004-12-23 WO disclosed
EP-0916674-B1 Purine derivatives having cyclopropane ring SUMIKA FINE CHEMICALS CO LTD (JP) 2002-05-08 EP disclosed
US-6342603-B1 PREPARING CYCLOPROPANE RING-CLEAVED PURINE DERIVATIVE BY HYDROGENATING PURINE DERIVATIVE HAVING CYCLOPROPANE RING SUMIKA FINE CHEMICALS CO., LTD. (JP) 2002-01-29 US disclosed
US-6156892-A Purine derivatives having cyclopropane ring SUMIKA FIRE CHEMICALS CO., LTD. (JP) 2000-12-05 US disclosed
EP-0916674-A1 Purine derivatives having cyclopropane ring SUMIKA FINE CHEMICALS Co., Ltd. (JP) 1999-05-19 EP disclosed
EP-0302644-B1 Purine compounds and their preparation BEECHAM GROUP PLC (GB) 1997-01-29 EP disclosed
US-5175288-A Process for preparing purine derivatives and intermediates thereof BEECHAM GROUP P.L.C. (GB) 1992-12-29 US disclosed
EP-0302644-A2 Purine compounds and their preparation BEECHAM GROUP PLC (GB) 1989-02-08 EP 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-20060258862-A1 2-Amino-9-(2-substituted ethyl)purines and preparing methods for 9-[4-acetoxy-3-(acetoxymethyl)but-1-yl]-2-aminopurine using the same TYMP, TPMT, PNP KDM4E 783/4885ALDH1A1 1015/4885HPGD 2021/4885

“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.