SCHEMBL23920856

SCHEMBL23920856

Nc1nc2c(nc(SCC(=O)NCc3ccccc3)n2CCO)c(=O)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.56
CYP2D6 P10635 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
RECQL P46063 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
GAA P10253 2/20 0.50
LMNA P02545 2/20 0.48
PKM P14618 1/20 0.48
GLA P06280 1/20 0.48
PNP P00491 1/20 0.48
ALDH1A1 P00352 3/20 0.47
MAPK1 P28482 2/20 0.47
TSHR P16473 1/20 0.47
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 2/20 0.46
POLB P06746 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
RXFP1 Q9HBX9 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
SCHEMBL23920847 0.88 CYP1A2 (0.46) CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL23921082 0.87 PKM (0.52) CYP3A4CYP2C9CYP2C19GAALMNA
SCHEMBL23921225 0.83 PNP (0.55) PNPALDH1A1MAPK1TSHRTP53
SCHEMBL23921227 0.82 ALDH1A1 (0.47) CYP3A4CYP2C9CYP2C19PNPALDH1A1
SCHEMBL21396481 0.82 MEN1 (0.44) CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL21396394 0.81 PNP (0.51) RECQLPNPALDH1A1TSHRKDM4E
SCHEMBL23920867 0.81 PNP (0.52) SMN1; SMN2LMNAPNPALDH1A1MAPK1
SCHEMBL23920989 0.80 ATM (0.46) CYP3A4CYP2C9CYP2C19SMN1; SMN2GAA
SCHEMBL23921094 0.79 PNP (0.48) RECQLPNPALDH1A1TSHRTP53
SCHEMBL21396435 0.79 PNP (0.42) CYP3A4CYP2C9CYP2C19SMN1; SMN2PNP

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 CYP3A4 3988/4885CYP2D6 4696/4885CYP1A2 4542/4885
US-20210317156-A1 NEW POLYMER LINKED MULTIMERS OF GUANOSINE-3', 5'-CYCLIC MONOPHOSPHATES PRKG1, PRKG2, PDE7A CYP3A4 4076/4885CYP2D6 4699/4885CYP1A2 4564/4885

“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.