SCHEMBL21396414

SCHEMBL21396414

Nc1nc2c(nc(Sc3ccccc3N)n2CCO)c(=O)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PNP P00491 11/20 0.47
TK1 P04183 1/20 0.41
KMT2A Q03164 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
DHFR P00374 2/20 0.39
XDH P47989 1/20 0.39
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
HSP90B1 P14625 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
SCHEMBL23921068 0.82 HSP90B1 (0.48) PNPTK1CYP3A4MAPTXDH
SCHEMBL23920865 0.82 PNP (0.44) PNPTK1CYP3A4MAPTDHFR
SCHEMBL23920991 0.81 PNP (0.53) PNPTK1CYP3A4MAPTUSP2
SCHEMBL23921076 0.79 LMNA (0.49) PNPKMT2AMAPTDHFRXDH
SCHEMBL23921138 0.79 CYP3A4 (0.46) PNPTK1KMT2ACYP3A4MAPT
SCHEMBL23921225 0.79 PNP (0.55) PNPTSHRHSD17B10
SCHEMBL23920795 0.78 PNP (0.52) PNPTK1USP2TSHREDNRA
SCHEMBL21396398 0.78 PNP (0.52) PNPTK1KMT2ACYP3A4MAPT
SCHEMBL23921116 0.78 CYP3A4 (0.46) PNPTK1KMT2ACYP3A4MAPT
SCHEMBL23921096 0.78 CYP3A4 (0.46) PNPTK1CYP3A4MAPTDHFR

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-20220402964-A1 NEW EQUATORIALLY MODIFIED POLYMER LINKED MULTIMERS OF GUANSINE-3', 5'-CYCLIC MONOPHOSPHATES Graybug Vision, Inc. (US) 2022-12-22 US disclosed
US-20190292214-A1 NEW EQUATORIALLY MODIFIED POLYMER LINKED MULTIMERS OF GUANOSINE-3', 5'-CYCLIC MONOPHOSPHATES MIRECA MEDICINES GMBH (DE) 2019-09-26 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-20220402964-A1 NEW EQUATORIALLY MODIFIED POLYMER LINKED MULTIMERS OF GUANSINE-3', 5'-CYCLIC MONOPHOSPHATES PRKG1, PDE7A, PDE5A PNP 109/4885TK1 1693/4885KMT2A 4125/4885
US-20190292214-A1 NEW EQUATORIALLY MODIFIED POLYMER LINKED MULTIMERS OF GUANOSINE-3', 5'-CYCLIC MONOPHOSPHATES PDE7A, PRKG1, PDE4C PNP 100/4885TK1 1363/4885KMT2A 4217/4885

“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.