SCHEMBL1889400

SCHEMBL1889400

Nc1ncnc2c1ncn2[C@H]1CC(O)[C@@H](CC(O)C(=O)O)O1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 2/20 0.59
P2RY1 P47900 1/20 0.59
POLB P06746 1/20 0.58
EHMT2 Q96KQ7 4/20 0.52
NSD2 O96028 2/20 0.52
PCMT1 P22061 2/20 0.52
DOT1L Q8TEK3 2/20 0.52
SETD7 Q8WTS6 2/20 0.52
NNMT P40261 2/20 0.52
EHMT1 Q9H9B1 2/20 0.52
TRDMT1 O14717 1/20 0.52
PRMT5 O14744 1/20 0.52
RNMT O43148 1/20 0.52
INMT O95050 1/20 0.52
TPMT P51580 1/20 0.52
METTL3 Q86U44 1/20 0.52
CARM1 Q86X55 1/20 0.52
NSD1 Q96L73 1/20 0.52
PRMT1 Q99873 1/20 0.52
SETD2 Q9BYW2 1/20 0.52

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
SCHEMBL13978098 0.85 DOT1L (0.72) EHMT2NSD2PCMT1DOT1LSETD7
SCHEMBL19959561 0.84 POLB (0.63) ENPP1P2RY1POLBEHMT2NSD2
SCHEMBL3691593 0.84 POLB (0.64) ENPP1P2RY1POLBDOT1LHIF1A
Deoxyadenosine SCHEMBL5982298 0.82 HIF1A (0.71) ENPP1P2RY1POLBDOT1LHIF1A
Deoxyadenosine SCHEMBL19506291 0.82 HIF1A (0.71) ENPP1P2RY1POLBDOT1LHIF1A
Deoxyadenosine SCHEMBL23982174 0.82 HIF1A (0.71) ENPP1P2RY1POLBDOT1LHIF1A
SCHEMBL6914336 0.82 POLB (0.63) ENPP1P2RY1POLBDOT1LHIF1A
Deoxyadenosine SCHEMBL12222447 0.82 HIF1A (0.71) ENPP1P2RY1POLBDOT1LHIF1A
Deoxyadenosine SCHEMBL21637036 0.82 HIF1A (0.71) ENPP1P2RY1POLBDOT1LHIF1A
SCHEMBL23547685 0.82 POLB (0.63) ENPP1P2RY1POLBDOT1LHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242087-B2 Phosphate modified nucleosides useful as substrates for polymerases and as antiviral agents K.U.LEUVEN RESEARCH & DEVELOPMENT (BE) 2012-08-14 US disclosed
US-20110112046-A9 PHOSPHATE MODIFIED NUCLEOSIDES USEFUL AS SUBSTRATES FOR POLYMERASES AND AS ANTIVIRAL AGENTS K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2011-05-12 US disclosed
US-20100093656-A1 PHOSPHATE MODIFIED NUCLEOSIDES USEFUL AS SUBSTRATES FOR POLYMERASES AND AS ANTIVIRAL AGENTS K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2010-04-15 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-20110112046-A9 PHOSPHATE MODIFIED NUCLEOSIDES USEFUL AS SUBSTRATES FOR POLYMERASES AND AS ANTIVIRAL AGENTS MTAP, POLRMT, PNP ENPP1 17/4885P2RY1 575/4885POLB 12/4885
US-20100093656-A1 PHOSPHATE MODIFIED NUCLEOSIDES USEFUL AS SUBSTRATES FOR POLYMERASES AND AS ANTIVIRAL AGENTS MTAP, POLRMT, PNP ENPP1 17/4885P2RY1 575/4885POLB 12/4885

“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.