SCHEMBL3722569

SCHEMBL3722569

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 6/20 0.41
CHEK1 O14757 1/20 0.41
ACHE P22303 1/20 0.41
IRAK1 P51617 1/20 0.38
PIM1 P11309 4/20 0.38
GSK3B P49841 3/20 0.38
DYRK1A Q13627 3/20 0.38
MAPT P10636 1/20 0.37
AXL P30530 1/20 0.37
MERTK Q12866 1/20 0.37
USP30 Q70CQ3 1/20 0.36
MAPK1 P28482 1/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 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
SCHEMBL11907836 1.00 CHRM1 (0.41) CHRM1CHEK1ACHEIRAK1PIM1
SCHEMBL3723587 1.00 CHRM1 (0.41) CHRM1CHEK1ACHEIRAK1PIM1
SCHEMBL11908188 1.00 CHRM1 (0.41) CHRM1CHEK1ACHEIRAK1PIM1
SCHEMBL11908116 0.93 CHRM1 (0.41) CHRM1CHEK1ACHEPIM1GSK3B
SCHEMBL473706 0.92 CHRM1 (0.51) CHRM1CHEK1ACHEGSK3BDYRK1A
SCHEMBL11907936 0.92 CHRM1 (0.49) CHRM1CHEK1ACHEGSK3BDYRK1A
SCHEMBL3723658 0.89 CHRM1 (0.43) CHRM1CHEK1ACHEPIM1MAPT
SCHEMBL11907770 0.89 CHRM1 (0.39) CHRM1CHEK1ACHEPIM1GSK3B
SCHEMBL473689 0.89 CHRM1 (0.39) CHRM1CHEK1ACHEPIM1GSK3B
SCHEMBL3723733 0.89 CHRM1 (0.39) CHRM1CHEK1ACHEPIM1GSK3B

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 CHRM1 142/4885CHEK1 1152/4885ACHE 4455/4885

“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.