SCHEMBL15075541

SCHEMBL15075541

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

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 6/20 0.57
P2RY2 P41231 5/20 0.57
P2RY11 Q96G91 1/20 0.57
P2RX3 P56373 6/20 0.53
P2RX4 Q99571 5/20 0.53
P2RX1 P51575 4/20 0.53
P2RX2 Q9UBL9 2/20 0.51
POLB P06746 1/20 0.49
SRC P12931 1/20 0.49
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
RNASEL Q05823 1/20 0.48
P2RX7 Q99572 1/20 0.46

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
SCHEMBL22990449 0.84 P2RY1 (0.54) P2RY1P2RY2P2RY11POLBSRC
SCHEMBL15281794 0.83 P2RY1 (0.57) P2RY1P2RY2P2RY11P2RX3P2RX4
SCHEMBL20324651 0.78 TAS1R3 (0.47) P2RY1POLBALDH1A1
SCHEMBL25556583 0.78 P2RY1 (0.58) P2RY1P2RY2P2RY11P2RX3P2RX4
SCHEMBL16373878 0.78 P2RX1 (0.61) P2RY1P2RY2P2RY11P2RX3P2RX4
SCHEMBL15678094 0.78 P2RY1 (0.59) P2RY1P2RY2P2RY11P2RX3P2RX4
SCHEMBL21637015 0.77 P2RY1 (0.53) P2RY1P2RY2P2RY11P2RX3P2RX4
SCHEMBL25556577 0.77 P2RY1 (0.56) P2RY1P2RY2P2RY11P2RX3P2RX4
SCHEMBL16490110 0.77 P2RX1 (0.57) P2RY1P2RY2P2RY11P2RX3P2RX4
SCHEMBL16374061 0.77 P2RY1 (0.58) P2RY1P2RY2P2RY11P2RX3P2RX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210179656-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Biopharma, Inc. (US) 2021-06-17 US disclosed
WO-2013096679-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF ALIOS BIOPHARMA, INC. (US) 2013-06-27 WO 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-20210179656-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, ADAR P2RY1 72/4885P2RY2 133/4885P2RY11 76/4885

“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.