SCHEMBL25147353

SCHEMBL25147353

CN[C@@H]1CCCN(c2ccc(SC)nc2)C1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 13/20 0.50
▸ DOT1L Q8TEK3 1/20 0.45
▸ ACACB O00763 1/20 0.43
▸ ROCK2 O75116 5/20 0.42
▸ ROCK1 Q13464 5/20 0.42
▸ CDC42BPB Q9Y5S2 5/20 0.42
▸ CDC42BPA Q5VT25 2/20 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
SCHEMBL23132892 1.00 HRH4 (0.50) HRH4DOT1LACACBROCK2ROCK1
SCHEMBL23108626 0.82 HRH4 (0.53) HRH4DOT1LROCK2ROCK1CDC42BPB
SCHEMBL24746253 0.82 HRH4 (0.53) HRH4DOT1LROCK2ROCK1CDC42BPB
SCHEMBL23504191 0.82 HRH4 (0.53) HRH4DOT1LROCK2ROCK1CDC42BPB
SCHEMBL4828769 0.81 CHRNB2 (0.52) HRH4DOT1LROCK2ROCK1CDC42BPB
SCHEMBL4828913 0.81 CHRNB2 (0.52) HRH4DOT1LROCK2ROCK1CDC42BPB
SCHEMBL4827822 0.81 CHRNB2 (0.51) HRH4DOT1L
SCHEMBL23132875 0.81 ACACB (0.43) HRH4DOT1LACACBROCK2ROCK1
SCHEMBL4822898 0.81 CHRNB2 (0.51) HRH4DOT1L
SCHEMBL23425828 0.80 ACACB (0.43) HRH4ACACB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230117631-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. 2023-04-20 — — 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 (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-20230117631-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 HRH4 462/4885DOT1L 3152/4885ACACB 1814/4885

“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.

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