SCHEMBL1875159

SCHEMBL1875159

CCC(=O)OCC(CCn1cnc2cnc(N)nc21)COC(=O)CC

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.80
ALDH1A1 P00352 1/20 0.80
HPGD P15428 1/20 0.80
ADRA1A P35348 1/20 0.80
HSD17B10 Q99714 1/20 0.80
RXFP1 Q9HBX9 1/20 0.80
HDAC6 Q9UBN7 2/20 0.43
HSP90AA1 P07900 2/20 0.39
HSP90AB1 P08238 1/20 0.39
CYP2C19 P33261 1/20 0.36
RPS6KA3 P51812 1/20 0.36
P2RY1 P47900 2/20 0.35
CDK1 P06493 2/20 0.34
CCNB1 P14635 2/20 0.34
CCNE1 P24864 2/20 0.34
CDK2 P24941 2/20 0.34
TNF P01375 2/20 0.32
GAA P10253 1/20 0.32
EP300 Q09472 1/20 0.32
IRAK4 Q9NWZ3 2/20 0.31

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
Famciclovir SCHEMBL29357294 0.89 KDM4E (1.00) KDM4EALDH1A1HPGDADRA1AHSD17B10
Famciclovir SCHEMBL8190642 0.89 KDM4E (1.00) KDM4EALDH1A1HPGDADRA1AHSD17B10
Famciclovir SCHEMBL2949 0.89 KDM4E (1.00) KDM4EALDH1A1HPGDADRA1AHSD17B10
Famciclovir SCHEMBL6471750 0.88 KDM4E (0.94) KDM4EALDH1A1HPGDADRA1AHSD17B10
Famciclovir SCHEMBL3932051 0.88 KDM4E (0.98) KDM4EALDH1A1HPGDADRA1AHSD17B10
Famciclovir SCHEMBL29098544 0.88 KDM4E (0.98) KDM4EALDH1A1HPGDADRA1AHSD17B10
Famciclovir SCHEMBL6471652 0.88 KDM4E (0.98) KDM4EALDH1A1HPGDADRA1AHSD17B10
Famciclovir SCHEMBL7103048 0.88 KDM4E (0.98) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL1880119 0.86 KDM4E (0.69) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL14163778 0.86 KDM4E (0.89) 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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9549930-B2 Combined systemic and topical treatment of disordered and/or prodromal stage tissue QUADEX PHARMACEUTICALS, LLC (US) 2017-01-24 US claimed
US-9545408-B2 Combined systemic and topical treatment of disordered tissues QUADEX PHARMACEUTICALS, INC. (US) 2017-01-17 US claimed
US-5246937-A Viricides, herpes simplex BEECHAM GROUP P.L.C. (GB) 1993-09-21 US claimed
EP-0182024-B1 PURINE DERIVATIVES AND THEIR PHARMACEUTICAL USE BEECHAM GROUP PLC (GB) 1991-04-03 EP claimed
WO-1987005604-A1 2-AMINOPURINE DERIVATIVES AND PROCESS FOR THEIR PREPARATION BEECHAM GROUP P.L.C. (GB) 1987-09-24 WO claimed
EP-0182024-A2 Purine derivatives and their pharmaceutical use BEECHAM GROUP PLC (GB) 1986-05-28 EP claimed
US-9549930-B2 Combined systemic and topical treatment of disordered and/or prodromal stage tissue QUADEX PHARMACEUTICALS, LLC (US) 2017-01-24 US disclosed
US-9545408-B2 Combined systemic and topical treatment of disordered tissues QUADEX PHARMACEUTICALS, INC. (US) 2017-01-17 US disclosed
US-20150374704-A1 COMBINED SYSTEMIC AND TOPICAL TREATMENT OF DISORDERED AND/OR PRODROMAL STAGE TISSUE QUADEX PHARMACEUTICALS, LLC 2015-12-31 US disclosed
US-20150342955-A1 COMBINED SYSTEMIC AND TOPICAL TREATMENT OF DISORDERED TISSUES QUADEX PHARMACEUTICALS, LLC 2015-12-03 US disclosed
US-9125911-B2 Combined systemic and topical treatment of disordered tissues QUADEX PHARMACEUTICALS, LLC (US) 2015-09-08 US disclosed
EP-2846788-A1 USE OF COMPOUNDS FOR THE TREATMENT OF PAIN Akron Molecules AG (AT) 2015-03-18 EP disclosed
US-20140274939-A1 COMBINED SYSTEMIC AND TOPICAL TREATMENT OF DISORDERED TISSUES QUADEX PHARMACEUTICALS, LLC (US) 2014-09-18 US disclosed
US-20060135464-A1 Anti-infective compositions, methods and systems for treating pathogen-induced disordered tissues QUADEX PHARMACEUTICALS, LLC 2006-06-22 US disclosed
US-5559114-A Treatment of autoimmune disease using 2-amino purine derivatives EXLEY RAY W (US) 1996-09-24 US disclosed
US-5250688-A Treating herpes virus infections BEECHAM GROUP P.L.C. (GB) 1993-10-05 US disclosed
US-5246937-A Viricides, herpes simplex BEECHAM GROUP P.L.C. (GB) 1993-09-21 US disclosed
EP-0182024-B1 PURINE DERIVATIVES AND THEIR PHARMACEUTICAL USE BEECHAM GROUP PLC (GB) 1991-04-03 EP disclosed
WO-1987005604-A1 2-AMINOPURINE DERIVATIVES AND PROCESS FOR THEIR PREPARATION BEECHAM GROUP P.L.C. (GB) 1987-09-24 WO disclosed
EP-0182024-A2 Purine derivatives and their pharmaceutical use BEECHAM GROUP PLC (GB) 1986-05-28 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 (4 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-20140274939-A1 COMBINED SYSTEMIC AND TOPICAL TREATMENT OF DISORDERED TISSUES SAMHD1, DCTD, NT5E KDM4E 3252/4885ALDH1A1 3928/4885HPGD 3017/4885
US-20060135464-A1 Anti-infective compositions, methods and systems for treating pathogen-induced disordered tissues DCTD, ADA, TYMP KDM4E 3762/4885ALDH1A1 3858/4885HPGD 607/4885
US-20150342955-A1 COMBINED SYSTEMIC AND TOPICAL TREATMENT OF DISORDERED TISSUES NT5E, SAMHD1, DCTD KDM4E 2688/4885ALDH1A1 3897/4885HPGD 2762/4885
US-20150374704-A1 COMBINED SYSTEMIC AND TOPICAL TREATMENT OF DISORDERED AND/OR PRODROMAL STAGE TISSUE SAMHD1, CUTA, TK1 KDM4E 3024/4885ALDH1A1 4317/4885HPGD 3085/4885

“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.