SCHEMBL473631

SCHEMBL473631

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

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AXL P30530 12/20 0.42
MERTK Q12866 12/20 0.42
CHRM1 P11229 3/20 0.41
GSK3B P49841 3/20 0.41
DYRK1A Q13627 3/20 0.41
CHEK1 O14757 1/20 0.41
ACHE P22303 1/20 0.41
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39

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 0.98 CHRM1 (0.43) AXLMERTKCHRM1GSK3BDYRK1A
SCHEMBL473728 0.98 CHRM1 (0.43) AXLMERTKCHRM1GSK3BDYRK1A
SCHEMBL11907936 0.90 CHRM1 (0.49) CHRM1GSK3BDYRK1ACHEK1ACHE
SCHEMBL11908023 0.89 CHEK1 (0.40) CHRM1GSK3BDYRK1ACHEK1ACHE
SCHEMBL473706 0.89 CHRM1 (0.51) CHRM1GSK3BDYRK1ACHEK1ACHE
SCHEMBL11929499 0.88 CHRM1 (0.43) AXLMERTKCHRM1GSK3BDYRK1A
SCHEMBL11907420 0.88 CHRM1 (0.43) AXLMERTKCHRM1GSK3BDYRK1A
SCHEMBL11929500 0.88 CHRM1 (0.42) AXLMERTKCHRM1GSK3BDYRK1A
SCHEMBL3723670 0.88 CHRM1 (0.42) AXLMERTKCHRM1GSK3BDYRK1A
SCHEMBL11907671 0.87 CHRM1 (0.41) 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 AXL 4295/4885MERTK 3826/4885CHRM1 142/4885

“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.