SCHEMBL24859577

SCHEMBL24859577

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
SYK P43405 5/20 0.41
ACACB O00763 1/20 0.41
CHEK1 O14757 1/20 0.40
LRRK2 Q5S007 5/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
CD63 P08962 1/20 0.39
PDK1 Q15118 1/20 0.38
AOC3 Q16853 1/20 0.38
HDAC6 Q9UBN7 1/20 0.37
TBK1 Q9UHD2 1/20 0.35
PCSK9 Q8NBP7 1/20 0.35

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
SCHEMBL23108619 1.00 ADORA2A (0.41) ADORA2AADORA1SYKACACBCHEK1
SCHEMBL23102759 0.86 PDK1 (0.41) SYKACACBLRRK2CHRNB2CHRNA4
SCHEMBL23133581 0.86 PDK1 (0.41) SYKACACBLRRK2CHRNB2CHRNA4
SCHEMBL25147359 0.86 SYK (0.41) ADORA2AADORA1SYKACACBCHEK1
SCHEMBL23103857 0.86 SYK (0.41) ADORA2AADORA1SYKACACBCHEK1
SCHEMBL23114770 0.86 SYK (0.41) ADORA2AADORA1SYKACACBCHEK1
SCHEMBL23132897 0.83 ACACB (0.39) ACACBCHEK1CHRNB2CHRNA4HDAC6
SCHEMBL23132889 0.83 ACACB (0.39) ACACBCHEK1CHRNB2CHRNA4HDAC6
SCHEMBL20457829 0.82 ADORA2A (0.41) ADORA2AADORA1SYKCHEK1LRRK2
SCHEMBL23132316 0.82 CHEK1 (0.44) ADORA2AADORA1SYKCHEK1LRRK2

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-11548890-B1 HPK1 antagonists and uses thereof Nimbus Saturn, Inc. (US) 2023-01-10 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-11548890-B1 HPK1 antagonists and uses thereof PDXK, HIPK1, PCK1 ADORA2A 4172/4885ADORA1 4414/4885SYK 4559/4885

“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.