SCHEMBL23425828

SCHEMBL23425828

CSc1ccc(N2CCC[C@H](C(C)N(C)C)C2)cn1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 4/20 0.43
▸ CHRNB2 P17787 1/20 0.37
▸ CHRNA4 P43681 1/20 0.37
▸ HRH4 Q9H3N8 4/20 0.34
▸ KCNJ1 P48048 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ MCHR1 Q99705 1/20 0.31
▸ NAMPT P43490 4/20 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
SCHEMBL23108676 0.85 ACACB (0.47) ACACBCHRNB2CHRNA4KCNJ1KCNH2
SCHEMBL23103979 0.82 HRH4 (0.34) ACACBCHRNB2CHRNA4HRH4MCHR1
SCHEMBL23504147 0.82 ACACB (0.33) ACACB
SCHEMBL23132892 0.80 HRH4 (0.50) ACACBHRH4
SCHEMBL25147353 0.80 HRH4 (0.50) ACACBHRH4
SCHEMBL23132875 0.77 ACACB (0.43) ACACBCHRNB2CHRNA4HRH4
SCHEMBL23133709 0.76 ACACB (0.39) ACACBCHRNB2CHRNA4KCNJ1KCNH2
SCHEMBL23114832 0.74 ACACB (0.50) ACACBCHRNB2CHRNA4KCNJ1KCNH2
SCHEMBL25146910 0.74 ACACB (0.50) ACACBCHRNB2CHRNA4KCNJ1KCNH2
SCHEMBL25147338 0.73 ACACB (0.44) ACACBCHRNB2CHRNA4

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-11028085-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1h-pyrrolo[3,4-c]pyridin-1-ones as hpk1 antagonists Nimbus Saturn, Inc. (US) 2021-06-08 — — US disclosed
US-11021481-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1h-pyrrolo[3,4-c]pyridin-1-ones as HPK1 antagonists Nimbus Saturn, Inc. (US) 2021-06-01 — — 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-11028085-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1h-pyrrolo[3,4-c]pyridin-1-ones as hpk1 antagonists HIPK1, PDXK, IP6K1 ACACB 3367/4885CHRNB2 1400/4885CHRNA4 2220/4885
US-11021481-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1h-pyrrolo[3,4-c]pyridin-1-ones as HPK1 antagonists HIPK1, PDXK, IP6K1 ACACB 3367/4885CHRNB2 1400/4885CHRNA4 2220/4885

“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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