SCHEMBL25147359

SCHEMBL25147359

CSc1ccc(N2CCO[C@@H](CN(C)C)C2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.41
LRRK2 Q5S007 1/20 0.39
ACACB O00763 1/20 0.37
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
PCSK9 Q8NBP7 1/20 0.33
TRPA1 O75762 1/20 0.33
AOC3 Q16853 1/20 0.33
CHEK1 O14757 4/20 0.32
SCN9A Q15858 1/20 0.32
CD63 P08962 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
SLC8A1 P32418 1/20 0.32
KCNJ1 P48048 1/20 0.32
KCNH2 Q12809 1/20 0.32
CHEK2 O96017 2/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
DRD4 P21917 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
SCHEMBL23103857 1.00 SYK (0.41) SYKLRRK2ACACBCHRNB2CHRNA4
SCHEMBL23114770 1.00 SYK (0.41) SYKLRRK2ACACBCHRNB2CHRNA4
SCHEMBL23103924 0.89 ACACB (0.37) SYKLRRK2ACACBCHRNB2CHRNA4
SCHEMBL24859577 0.86 ADORA2A (0.41) SYKLRRK2ACACBCHRNB2CHRNA4
SCHEMBL23108619 0.86 ADORA2A (0.41) SYKLRRK2ACACBCHRNB2CHRNA4
SCHEMBL23133581 0.83 PDK1 (0.41) SYKLRRK2ACACBCHRNB2CHRNA4
SCHEMBL23102759 0.83 PDK1 (0.41) SYKLRRK2ACACBCHRNB2CHRNA4
SCHEMBL23089673 0.82 LRRK2 (0.42) SYKLRRK2CHRNB2CHRNA4AOC3
SCHEMBL24859545 0.82 DRD4 (0.40) SYKLRRK2PCSK9TRPA1CHEK1
SCHEMBL23103282 0.82 DRD4 (0.40) SYKLRRK2PCSK9TRPA1CHEK1

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-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF SCHRÖDINGER, INC. 2024-01-25 US disclosed
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 (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-20230117631-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 SYK 4559/4885LRRK2 972/4885ACACB 1814/4885
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 SYK 4559/4885LRRK2 972/4885ACACB 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.