SCHEMBL19984549

SCHEMBL19984549

O=C(NCc1cnc(-n2cccn2)s1)c1ccc2c(c1)NC(=O)C1CCCN1S2(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 1/20 0.36
RAB9A P51151 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ELOVL6 Q9H5J4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GAA P10253 1/20 0.32
SLC8A1 P32418 2/20 0.32
KLKB1 P03952 1/20 0.32
NPC1 O15118 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
EGLN1 Q9GZT9 2/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MERTK Q12866 1/20 0.31
NTRK1 P04629 1/20 0.31
PRMT5 O14744 1/20 0.31

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
SCHEMBL24221826 0.98 RIPK2 (0.36) RIPK2RAB9AMEN1KMT2AALOX15
SCHEMBL21291466 0.98 RIPK2 (0.36) RIPK2RAB9AMEN1KMT2AALOX15
SCHEMBL24221915 0.98 RIPK2 (0.36) RIPK2RAB9AMEN1KMT2AALOX15
SCHEMBL21291476 0.83 RAB9A (0.40) RIPK2RAB9AMEN1KMT2AALOX15
SCHEMBL21291311 0.83 RAB9A (0.40) RIPK2RAB9AMEN1KMT2AALOX15
SCHEMBL21291436 0.82 RIPK2 (0.36) RIPK2RAB9AMEN1KMT2AALOX15
SCHEMBL21291437 0.79 MEN1 (0.34) RAB9AMEN1KMT2AALOX15HSD17B10
SCHEMBL21291439 0.79 RIPK2 (0.38) RIPK2RAB9AKMT2AELOVL6KLKB1
SCHEMBL18667649 0.78 PKM (0.41) RIPK2KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL21291310 0.77 NTRK1 (0.33) RAB9AMEN1KMT2AALOX15HSD17B10

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-20220023311-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2022-01-27 US disclosed
WO-2018053157-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES, INC. (US) 2018-03-22 WO 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 (1 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-20220023311-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS RIPK2 995/4885RAB9A 1059/4885MEN1 4865/4885

“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.