SCHEMBL23920996

SCHEMBL23920996

Nc1nc2c(nc(N=P(c3ccccc3)(c3ccccc3)c3ccccc3)n2CCO)c(=O)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PNP P00491 11/20 0.49
TK1 P04183 1/20 0.41
XDH P47989 1/20 0.40
DHFR P00374 4/20 0.40
HPRT1 P00492 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
BLM P54132 1/20 0.38
HBB P68871 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL21396480 0.77 PNP (0.55) PNPTK1XDHDHFR
SCHEMBL23921225 0.72 PNP (0.55) PNPTSHRHSD17B10
SCHEMBL21396362 0.71 PNP (0.56) PNPTK1HPRT1USP2TSHR
SCHEMBL21396414 0.70 PNP (0.47) PNPTK1XDHDHFRUSP2
SCHEMBL3426642 0.70 TK1 (0.54) PNPTK1DHFRHSD17B10
SCHEMBL23920867 0.69 PNP (0.52) PNPTSHRHSD17B10
SCHEMBL23921149 0.69 PNP (0.51) PNPTK1DHFRHPRT1USP2
SCHEMBL21396441 0.69 ADORA2A (0.60) PNPTK1DHFR
SCHEMBL23921096 0.69 CYP3A4 (0.46) PNPTK1DHFRUSP2TSHR
SCHEMBL23921002 0.68 PNP (0.50) PNPTK1XDHDHFRUSP2

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-20230242568-A1 POLYMER LINKED MULTIMERS OF GUANOSINE-3', 5'-CYCLIC MONOPHOSPHATES MIRECA MEDICINES GMBH (DE) 2023-08-03 US disclosed
US-20210317156-A1 NEW POLYMER LINKED MULTIMERS OF GUANOSINE-3', 5'-CYCLIC MONOPHOSPHATES MIRECA MEDICINES GMBH (DE) 2021-10-14 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-20230242568-A1 POLYMER LINKED MULTIMERS OF GUANOSINE-3', 5'-CYCLIC MONOPHOSPHATES PRKG1, PRKG2, PRKAG3 PNP 111/4885TK1 460/4885XDH 4230/4885
US-20210317156-A1 NEW POLYMER LINKED MULTIMERS OF GUANOSINE-3', 5'-CYCLIC MONOPHOSPHATES PRKG1, PRKG2, PDE7A PNP 106/4885TK1 536/4885XDH 4240/4885

“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.