SCHEMBL21396481

SCHEMBL21396481

CC(C)CNC(=O)CSc1nc2c(=O)[nH]c(N)nc2n1CCO

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ATM Q13315 1/20 0.44
PNP P00491 4/20 0.41
LMNA P02545 2/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 2/20 0.37
MAPK1 P28482 1/20 0.37
MAPT P10636 1/20 0.37
TK1 P04183 1/20 0.36
HPGD P15428 2/20 0.35
HTT P42858 1/20 0.35
USP2 O75604 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL21396435 0.88 PNP (0.42) PNPALDH1A1SMN1; SMN2MAPK1TK1
SCHEMBL23921227 0.87 ALDH1A1 (0.47) KMT2APNPKDM4EALDH1A1MAPT
SCHEMBL23920989 0.84 ATM (0.46) ATMPNPKDM4EALDH1A1SMN1; SMN2
SCHEMBL23921107 0.82 PNP (0.47) PNPALDH1A1SMN1; SMN2POLBMAPK1
SCHEMBL23921094 0.82 PNP (0.48) KMT2APNPALDH1A1TK1HPGD
SCHEMBL21396394 0.82 PNP (0.51) PNPKDM4EALDH1A1MAPTTK1
SCHEMBL23920856 0.82 CYP3A4 (0.56) PNPLMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL23921113 0.79 PNP (0.50) PNPALDH1A1MAPK1MAPTTK1
SCHEMBL23921082 0.79 PKM (0.52) KMT2APNPLMNAALDH1A1POLB
SCHEMBL23920795 0.79 PNP (0.52) PNPTK1USP2

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 MEN1 2310/4885KMT2A 4125/4885ATM 3804/4885
US-20190292214-A1 NEW EQUATORIALLY MODIFIED POLYMER LINKED MULTIMERS OF GUANOSINE-3', 5'-CYCLIC MONOPHOSPHATES PDE7A, PRKG1, PDE4C MEN1 2540/4885KMT2A 4217/4885ATM 3341/4885

“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.