SCHEMBL3722982

SCHEMBL3722982

Cn1cc(-c2cc3c(cn2)[nH]c2ncc(F)c(-c4ccc(C(=O)N[C@@H]5CC[C@@H](O)C5)cc4)c23)cn1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCNC P24863 3/20 0.41
CDK8 P49336 3/20 0.41
USP30 Q70CQ3 3/20 0.40
GSK3B P49841 3/20 0.39
DYRK1A Q13627 3/20 0.39
PIM1 P11309 3/20 0.39
CHEK1 O14757 1/20 0.39
ACHE P22303 1/20 0.39
CD38 P28907 1/20 0.37
EGFR P00533 2/20 0.37
MAPT P10636 1/20 0.37
CHRM1 P11229 2/20 0.36
IRAK1 P51617 1/20 0.36

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
SCHEMBL473797 1.00 CCNC (0.41) CCNCCDK8USP30GSK3BDYRK1A
SCHEMBL473802 1.00 CCNC (0.41) CCNCCDK8USP30GSK3BDYRK1A
SCHEMBL3722936 1.00 CCNC (0.41) CCNCCDK8USP30GSK3BDYRK1A
SCHEMBL473803 0.89 USP30 (0.45) CCNCCDK8USP30GSK3BDYRK1A
SCHEMBL11907671 0.86 CHRM1 (0.41) CCNCCDK8USP30GSK3BDYRK1A
SCHEMBL473706 0.86 CHRM1 (0.51) GSK3BDYRK1ACHEK1ACHECHRM1
SCHEMBL11907936 0.86 CHRM1 (0.49) CCNCCDK8GSK3BDYRK1ACHEK1
SCHEMBL3722569 0.85 CHRM1 (0.41) CCNCCDK8USP30GSK3BDYRK1A
SCHEMBL11908188 0.85 CHRM1 (0.41) CCNCCDK8USP30GSK3BDYRK1A
SCHEMBL3723587 0.85 CHRM1 (0.41) CCNCCDK8USP30GSK3BDYRK1A

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-20120208809-A1 9H-PYRROLO[2,3-B: 5,4-C'] DIPYRIDINE AZACARBOLINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-08-16 US disclosed
WO-2010109084-A2 9H-PYRROLO[2,3-B: 5,4-C'] DIPYRIDINE AZACARBOLINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-09-30 WO 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-20120208809-A1 9H-PYRROLO[2,3-B: 5,4-C'] DIPYRIDINE AZACARBOLINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF NPR3, CCNH, CBR3 CCNC 12/4885CDK8 2019/4885USP30 2841/4885

“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.