SCHEMBL1762987

SCHEMBL1762987

Nc1nc2c(nc(Br)n2[C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.57
KRAS P01116 2/20 0.54
PNP P00491 1/20 0.53
FUT5 Q11128 1/20 0.53
P2RX3 P56373 1/20 0.53
P2RY2 P41231 2/20 0.52
P2RY4 P51582 1/20 0.52
P2RY6 Q15077 1/20 0.52
NT5E P21589 1/20 0.52
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.50
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
ENTPD1 P49961 1/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 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
SCHEMBL1762981 1.00 TGM2 (0.57) TGM2KRASPNPFUT5P2RX3
SCHEMBL6041237 0.99 TGM2 (0.57) TGM2KRASPNPFUT5P2RX3
SCHEMBL6041235 0.99 TGM2 (0.57) TGM2KRASPNPFUT5P2RX3
SCHEMBL2775572 0.92 PNP (0.58) TGM2PNPNT5EALDH1A1MAPT
SCHEMBL20277567 0.92 PNP (0.58) TGM2PNPNT5EALDH1A1MAPT
SCHEMBL15522523 0.92 PNP (0.58) TGM2PNPNT5EALDH1A1MAPT
SCHEMBL5315097 0.91 TGM2 (0.58) TGM2KRASPNPFUT5P2RX3
SCHEMBL5315091 0.91 TGM2 (0.58) TGM2KRASPNPFUT5P2RX3
SCHEMBL17893049 0.91 PNP (0.66) TGM2KRASPNPFUT5P2RX3
SCHEMBL15794376 0.89 TGM2 (0.59) TGM2KRASPNPFUT5P2RX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8614312-B2 Method for preparing nucleotides and related analogues by synthesis on soluble substrate, and biological tools thus prepared CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-12-24 US disclosed
US-20130203726-A1 FtsZ INHIBITORS AS POTENTIATORS OF BETA-LACTAM ANTIBIOTICS AGAINST METHICILLIN-RESISTANT STAPHYLOCOCCUS ROEMER TERRY (US) 2013-08-08 US disclosed
US-8383597-B2 G proteins in tumor growth and angiogenesis CORNELL RESEARCH FOUNDATION, INC. (US) 2013-02-26 US disclosed
EP-2544528-A1 FtsZ INHIBITORS AS POTENTIATORS OF BETA-LACTAM ANTIBIOTICS AGAINST METHICILLIN-RESISTANT STAPHYLOCOCCUS Merck Sharp & Dohme Corp. (US) 2013-01-16 EP disclosed
WO-2011112435-A1 FtsZ INHIBITORS AS POTENTIATORS OF BETA-LACTAM ANTIBIOTICS AGAINST METHICILLIN-RESISTANT STAPHYLOCOCCUS MERCK SHARP & DOHME CORP. (US) 2011-09-15 WO disclosed
US-20110118454-A1 METHOD FOR PREPARING NUCLEOTIDES AND RELATED ANALOGUES BY SYNTHESIS ON SOLUBLE SUBSTRATE, AND BIOLOGICAL TOOLS THUS PREPARED CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2011-05-19 US disclosed
EP-2265624-A1 METHOD FOR PREPARING NUCLEOTIDES AND RELATED ANALOGUES BY SYNTHESIS ON SOLUBLE SUBSTRATE, AND BIOLOGICAL TOOLS THUS PREPARED Centre National de la Recherche Scientifique (FR) 2010-12-29 EP disclosed
WO-2009115694-A1 METHOD FOR PREPARING NUCLEOTIDES AND RELATED ANALOGUES BY SYNTHESIS ON SOLUBLE SUBSTRATE, AND BIOLOGICAL TOOLS THUS PREPARED CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2009-09-24 WO disclosed
US-20080020994-A1 G proteins in tumor growth and angiogenesis CORNELL RESEARCH FOUNDATION, INC. (US) 2008-01-24 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-20130203726-A1 FtsZ INHIBITORS AS POTENTIATORS OF BETA-LACTAM ANTIBIOTICS AGAINST METHICILLIN-RESISTANT STAPHYLOCOCCUS RCE1, POLE3, MCRS1 TGM2 1812/4885KRAS 748/4885PNP 2507/4885
US-20110118454-A1 METHOD FOR PREPARING NUCLEOTIDES AND RELATED ANALOGUES BY SYNTHESIS ON SOLUBLE SUBSTRATE, AND BIOLOGICAL TOOLS THUS PREPARED PNP, NUDT1, DUT TGM2 4427/4885KRAS 2282/4885PNP 1/4885

“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.