SCHEMBL4242268

SCHEMBL4242268

Nc1nc2c(ncn2OCCCO)c(=O)[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TK1 P04183 2/20 0.62
PNP P00491 10/20 0.60
BLM P54132 2/20 0.60
USP2 O75604 1/20 0.60
TSHR P16473 1/20 0.60
EDNRA P25101 1/20 0.60
HTR2A P28223 1/20 0.60
RECQL P46063 1/20 0.60
HBB P68871 1/20 0.60
HSD17B10 Q99714 1/20 0.60
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
CYP3A4 P08684 1/20 0.52
NFKB1 P19838 1/20 0.52
VCP P55072 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HIF1A Q16665 1/20 0.52
HPRT1 P00492 8/20 0.50

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
SCHEMBL8781788 0.93 PNP (0.64) TK1PNPBLMUSP2TSHR
SCHEMBL9684292 0.85 HPRT1 (0.69) PNPHPRT1
SCHEMBL28297087 0.85 PNP (0.51) TK1PNPBLMUSP2TSHR
SCHEMBL9683440 0.84 PNP (0.70) PNPHPRT1
SCHEMBL9183369 0.84 PNP (0.49) TK1PNPBLMUSP2TSHR
SCHEMBL27503506 0.84 PNP (0.53) TK1PNPBLMUSP2TSHR
SCHEMBL9184052 0.83 BLM (0.54) TK1PNPBLMUSP2TSHR
SCHEMBL9857583 0.83 HPRT1 (0.61) PNPHPRT1
SCHEMBL27973331 0.82 PNP (0.59) TK1PNPBLMUSP2TSHR
SCHEMBL15643286 0.81 MEN1 (0.58) TK1PNPBLMUSP2TSHR

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 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0242482-B1 Antiviral purine derivatives and process for their preparation BEECHAM GROUP PLC (GB) 1995-09-06 EP claimed
US-4965270-A Viricides BEECHAM GROUP P.L.C. (GB) 1990-10-23 US claimed
EP-0313289-A2 Process for the preparation of purine compounds and intermediates therefor BEECHAM GROUP PLC (GB) 1989-04-26 EP claimed
EP-0242482-A2 Antiviral purine derivatives and process for their preparation BEECHAM GROUP PLC (GB) 1987-10-28 EP claimed
US-7560587-B2 Bis[urea-urethane] compounds XEROX CORPORATION (US) 2009-07-14 US disclosed
US-7504502-B2 Guanidinopyrimidinone compounds and phase change inks containing same XEROX CORPORATION (US) 2009-03-17 US disclosed
US-20080171877-A1 GUANIDINOPYRIMIDINONE COMPOUNDS AND PHASE CHANGE INKS CONTAINING SAME XEROX CORPORATION (US) 2008-07-17 US disclosed
US-7371858-B2 Guanidinopyrimidinone compounds and phase change inks containing same XEROX CORPORATION (US) 2008-05-13 US disclosed
US-7317122-B2 Curable trans-1,2-cyclohexane bis(urea-urethane) compounds XEROX CORPORATION (US) 2008-01-08 US disclosed
US-7314949-B2 1,2-bis(6-(ethylhexyloxycarbonylamino)hexylaminocarbonylamino)cyclohexane; gelling agents for hot melt and phase change inks XEROX CORPORATION (US) 2008-01-01 US disclosed
US-7220300-B2 Phase change inks containing bis(urea-urethane) compounds XEROX CORPORATION (US) 2007-05-22 US disclosed
US-7157601-B2 Alkylated urea and triaminotriazine compounds and phase change inks containing same XEROX CORPORATION (US) 2007-01-02 US disclosed
US-5252575-A Herpes virus BEECHAM GROUP P.L.C. (GB) 1993-10-12 US disclosed
US-5159076-A Purine intermediates BEECHAM GROUP P.L.C. (GB) 1992-10-27 US disclosed
EP-0413544-A2 Purine derivatives, process for their preparation, pharmaceutical compositions and intermediates Beecham Group p.l.c. (GB) 1991-02-20 EP disclosed
EP-0413544-A2 Purine derivatives, process for their preparation, pharmaceutical compositions and intermediates Beecham Group p.l.c. (GB) 1991-02-20 EP disclosed
US-4965270-A Viricides BEECHAM GROUP P.L.C. (GB) 1990-10-23 US disclosed
US-4910307-A Process for preparing purines BEECHAM GROUP P.L.C. (GB) 1990-03-20 US disclosed
EP-0313289-A2 Process for the preparation of purine compounds and intermediates therefor BEECHAM GROUP PLC (GB) 1989-04-26 EP disclosed
EP-0242482-A2 Antiviral purine derivatives and process for their preparation BEECHAM GROUP PLC (GB) 1987-10-28 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 (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-20080171877-A1 GUANIDINOPYRIMIDINONE COMPOUNDS AND PHASE CHANGE INKS CONTAINING SAME INO80, RPP30, RO60 TK1 3607/4885PNP 2654/4885BLM 441/4885

“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.