SCHEMBL1883249

SCHEMBL1883249

CC1(C)OCC(CCn2cnc3cnc(N)nc32)CO1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
ADRA1A P35348 1/20 0.47
HSD17B10 Q99714 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
HDAC6 Q9UBN7 2/20 0.41
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
LCK P06239 1/20 0.36
KIT P10721 1/20 0.36
SRC P12931 1/20 0.36
KDR P35968 1/20 0.36
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GABRG2 P18507 7/20 0.33
GABRB3 P28472 7/20 0.33
GABRA5 P31644 7/20 0.33

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
SCHEMBL10361732 0.87 ALDH1A1 (0.45) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL5930306 0.82 CDK1 (0.52) HSP90AA1HSP90AB1SLC29A1CDK1CCNB1
SCHEMBL5930259 0.80 HSP90AB1 (0.45) HDAC6HSP90AA1HSP90AB1
SCHEMBL23710675 0.80 ALDH1A1 (0.42) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL8781655 0.79 KDM4E (0.46) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL9187637 0.77 KDM4E (0.37) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL4084012 0.76 ADORA2A (0.56) ALDH1A1HPGDLMNA
SCHEMBL16111664 0.75 CCNE1 (0.47) SLC29A1CDK1CCNB1CCNE1CDK2
SCHEMBL14010824 0.74 KDM4E (0.55) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL10516011 0.72 KDM4E (0.37) 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 39 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
EP-2968228-A1 COMBINED SYSTEMIC AND TOPICAL TREATMENT OF DISORDERED TISSUES Quadex Pharmaceuticals, LLC (US) 2016-01-20 EP 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
WO-2014160369-A1 COMBINED SYSTEMIC AND TOPICAL TREATMENT OF DISORDERED TISSUES QUADEX PHARMACEUTICALS, LLC (US) 2014-10-02 WO disclosed
US-5559114-A Treatment of autoimmune disease using 2-amino purine derivatives EXLEY RAY W (US) 1996-09-24 US disclosed
WO-1996018397-A1 THE TREATMENT OF AUTOIMMUNE DISEASE USING 2-AMINO PURINE DERIVATIVES EXLEY RAY W (US) 1996-06-20 WO 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 (2 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-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.