SCHEMBL4242270

SCHEMBL4242270

Nc1nc2c(c(=O)[nH]1)NCN2OCCCO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 9/20 0.50
TK1 P04183 1/20 0.39
PNP P00491 3/20 0.38
XDH P47989 2/20 0.38
BLM P54132 2/20 0.38
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
EDNRA P25101 1/20 0.38
HTR2A P28223 1/20 0.38
RECQL P46063 1/20 0.38
HBB P68871 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34
NFKB1 P19838 1/20 0.34
VCP P55072 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL9684323 0.85 HPRT1 (0.62) HPRT1PNP
SCHEMBL9683454 0.84 HPRT1 (0.61) HPRT1PNP
SCHEMBL336389 0.84 HPRT1 (0.49) HPRT1TK1PNPXDHBLM
SCHEMBL10481435 0.83 HPRT1 (0.48) HPRT1TK1PNPXDHBLM
Water SCHEMBL10481481 0.83 HPRT1 (0.48) HPRT1TK1PNPXDHBLM
SCHEMBL11121517 0.83 HPRT1 (0.48) HPRT1TK1PNPXDHBLM
Water SCHEMBL10481474 0.83 HPRT1 (0.48) HPRT1TK1PNPXDHBLM
SCHEMBL10364107 0.83 HPRT1 (0.48) HPRT1TK1PNPXDHBLM
SCHEMBL10481441 0.83 HPRT1 (0.48) HPRT1TK1PNPXDHBLM
Ammonia Solution, Strong SCHEMBL10906972 0.83 HPRT1 (0.48) HPRT1TK1PNPXDHBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7153349-B2 Phase change inks containing curable trans-1,2-cyclohexane bis(urea-urethane) compounds XEROX CORPORATION (US) 2006-12-26 US disclosed
US-7144450-B2 Phase change inks containing trans-1,2-cyclohexane bis(urea-urethane) compounds XEROX CORPORATION (US) 2006-12-05 US disclosed
US-20040050295-A1 ALKYLATED TETRAKIS(TRIAMINOTRIAZINE) COMPOUNDS AND PHASE CHANGE INKS CONTAINING SAME XEROX CORPORATION 2004-03-18 US disclosed
EP-0658166-A1 ANTIVIRAL PYRIMIDINE NUCLEOSIDES THE UNIVERSITY OF BIRMINGHAM (GB) 1995-06-21 EP disclosed
EP-0648218-A1 THERAPEUTIC NUCLEOSIDES THE WELLCOME FOUNDATION LIMITED (GB) 1995-04-19 EP disclosed
WO-1995009855-A1 AMINO ACIDS ESTERS OF PENCICLOVIR AND BRL 44385 SMITHKLINE BEECHAM P.L.C. (GB) 1995-04-13 WO disclosed
WO-1995007910-A1 ANTIVIRAL INDOLE DERIVATIVES THE WELLCOME FOUNDATION LIMITED (GB) 1995-03-23 WO disclosed
WO-1994005687-A1 ANTIVIRAL PYRIMIDINE NUCLEOSIDES UNIVERSITY OF BIRMINGHAM (GB) 1994-03-17 WO disclosed
WO-1994001117-A1 THERAPEUTIC NUCLEOSIDES THE WELLCOME FOUNDATION LIMITED (GB) 1994-01-20 WO disclosed
WO-1994001443-A1 THERAPEUTIC NUCLEOSIDES THE WELLCOME FOUNDATION LIMITED (GB) 1994-01-20 WO 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

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-20040050295-A1 ALKYLATED TETRAKIS(TRIAMINOTRIAZINE) COMPOUNDS AND PHASE CHANGE INKS CONTAINING SAME CCNT1, CCNT2, CCNK HPRT1 608/4885TK1 357/4885PNP 1749/4885
US-20080171877-A1 GUANIDINOPYRIMIDINONE COMPOUNDS AND PHASE CHANGE INKS CONTAINING SAME INO80, RPP30, RO60 HPRT1 2359/4885TK1 3607/4885PNP 2654/4885

“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.