SCHEMBL21291392

SCHEMBL21291392

Cc1c(C(=O)NCc2cnc(-c3ccc(C#N)cc3F)s2)ccc2c1NC(=O)c1ccncc1S2(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 2/20 0.36
EGLN1 Q9GZT9 5/20 0.35
PDPK1 O15530 1/20 0.34
ROCK2 O75116 2/20 0.33
BACE1 P56817 2/20 0.31
KLKB1 P03952 1/20 0.30
PRMT5 O14744 1/20 0.30
WDR77 Q9BQA1 1/20 0.30
GSK3A P49840 1/20 0.30
GSK3B P49841 1/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL18667022 0.92 EGLN1 (0.38) EGLN1PDPK1BACE1KLKB1PRMT5
SCHEMBL19984640 0.88 SLC22A12 (0.35) SLC22A12EGLN1PDPK1ROCK2BACE1
SCHEMBL21291308 0.85 EGLN1 (0.40) SLC22A12EGLN1PDPK1ROCK2KLKB1
SCHEMBL21250425 0.83 EGLN1 (0.38) EGLN1PDPK1BACE1PRMT5WDR77
SCHEMBL18667216 0.80 EGLN1 (0.37) EGLN1GSK3B
SCHEMBL21250361 0.78 EGLN1 (0.38) EGLN1PDPK1BACE1PRMT5WDR77
SCHEMBL24221908 0.77 ROCK2 (0.37) ROCK2THRB
SCHEMBL21291407 0.77 EGLN1 (0.42) EGLN1ROCK2KLKB1
SCHEMBL18667414 0.76 EGLN1 (0.44) EGLN1THRB
SCHEMBL19984758 0.76 EGLN1 (0.41) EGLN1ROCK2

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 3 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
US-10987360-B2 Hepatitis B core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2021-04-27 US disclosed
US-20190255067-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2019-08-22 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 (3 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-10987360-B2 Hepatitis B core protein modulators HAVCR2, FABP1, MAVS SLC22A12 2821/4885EGLN1 3738/4885PDPK1 2055/4885
US-20190255067-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS SLC22A12 2821/4885EGLN1 3738/4885PDPK1 2055/4885
US-20220023311-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS SLC22A12 2821/4885EGLN1 3738/4885PDPK1 2055/4885

“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.