SCHEMBL473728

SCHEMBL473728

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

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 4/20 0.43
GSK3B P49841 3/20 0.42
DYRK1A Q13627 3/20 0.42
CHEK1 O14757 1/20 0.41
ACHE P22303 1/20 0.41
AXL P30530 7/20 0.40
MERTK Q12866 7/20 0.40
CCNC P24863 2/20 0.38
CDK8 P49336 2/20 0.38
CNR1 P21554 2/20 0.37

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
SCHEMBL473808 1.00 CHRM1 (0.43) CHRM1GSK3BDYRK1ACHEK1ACHE
SCHEMBL473631 0.98 AXL (0.42) CHRM1GSK3BDYRK1ACHEK1ACHE
SCHEMBL473706 0.90 CHRM1 (0.51) CHRM1GSK3BDYRK1ACHEK1ACHE
SCHEMBL11907420 0.90 CHRM1 (0.43) CHRM1GSK3BDYRK1ACHEK1ACHE
SCHEMBL11929499 0.90 CHRM1 (0.43) CHRM1GSK3BDYRK1ACHEK1ACHE
SCHEMBL11929500 0.90 CHRM1 (0.42) CHRM1GSK3BDYRK1ACHEK1ACHE
SCHEMBL3723670 0.90 CHRM1 (0.42) CHRM1GSK3BDYRK1ACHEK1ACHE
SCHEMBL11908023 0.89 CHEK1 (0.40) CHRM1GSK3BDYRK1ACHEK1ACHE
SCHEMBL11907671 0.89 CHRM1 (0.41) CHRM1GSK3BDYRK1ACHEK1ACHE
SCHEMBL11907936 0.89 CHRM1 (0.49) CHRM1GSK3BDYRK1ACHEK1ACHE

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 3 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
EP-2411389-A2 9H-PYRROLO[2,3-B: 5,4-C']DIPYRIDINE AZACARBOLINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-01 EP 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 CHRM1 142/4885GSK3B 3703/4885DYRK1A 3775/4885

“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.