SCHEMBL21396522

SCHEMBL21396522

O=C(CSc1nc2c(=O)n3cc(-c4ccccc4)[nH]c3nc2n1CCO)Nc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.47
LMNA P02545 1/20 0.47
PKM P14618 3/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 4/20 0.44
PIK3C2A O00443 1/20 0.44
PIK3C2B O00750 1/20 0.44
KMT2A Q03164 2/20 0.43
CYP3A4 P08684 1/20 0.43
GAA P10253 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TP53 P04637 3/20 0.43
ADORA3 P0DMS8 1/20 0.42
ADORA1 P30542 1/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL21396510 0.89 ADORA3 (0.46) L3MBTL1ALDH1A1CYP3A4GAACYP2C9
SCHEMBL23921219 0.88 ADORA3 (0.45) LMNARAB9AALDH1A1MAPTKMT2A
SCHEMBL23920978 0.85 ADORA3 (0.52) ALDH1A1MAPTGAATP53ADORA3
SCHEMBL23921155 0.84 ADORA3 (0.46) LMNAALDH1A1KMT2AGAATP53
SCHEMBL23921143 0.83 ADORA3 (0.46) ALDH1A1MAPTTP53ADORA3ADORA1
SCHEMBL23920870 0.83 ADORA3 (0.52) RAB9AALDH1A1KMT2AGAATP53
SCHEMBL23921233 0.82 ADORA3 (0.51) LMNARAB9AMAPTKMT2AGAA
SCHEMBL23921064 0.82 ALDH1A1 (0.40) RXFP1LMNAALDH1A1KMT2ACYP3A4
SCHEMBL25927975 0.80 CYP3A4 (0.38) RXFP1LMNAALDH1A1MAPTKMT2A
SCHEMBL25927206 0.79 ALDH1A1 (0.37) RXFP1LMNAALDH1A1KMT2ACYP3A4

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 RXFP1 2362/4885LMNA 2883/4885PKM 2335/4885
US-20190292214-A1 NEW EQUATORIALLY MODIFIED POLYMER LINKED MULTIMERS OF GUANOSINE-3', 5'-CYCLIC MONOPHOSPHATES PDE7A, PRKG1, PDE4C RXFP1 3234/4885LMNA 3510/4885PKM 2205/4885

“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.