SCHEMBL473751

SCHEMBL473751

Cn1cc(-c2cc3c(cn2)[nH]c2ncc(F)c(-c4ccc(C(=O)N[C@@H]5C6CCC(C6)[C@@H]5CO)cc4)c23)cn1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.39
ACHE P22303 1/20 0.39
CCNC P24863 3/20 0.37
CDK8 P49336 3/20 0.37
USP30 Q70CQ3 4/20 0.36
PIM1 P11309 4/20 0.36
CHRM1 P11229 2/20 0.35
MAPT P10636 1/20 0.35
NTRK1 P04629 1/20 0.34
KIT P10721 1/20 0.34
FLT3 P36888 1/20 0.34
MAP4K1 Q92918 1/20 0.34
WNT1 P04628 1/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
CTSC P53634 1/20 0.34
BTK Q06187 1/20 0.34

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
SCHEMBL3723308 1.00 CHEK1 (0.39) CHEK1ACHECCNCCDK8USP30
SCHEMBL11909380 0.89 CHEK1 (0.38) CHEK1ACHECCNCCDK8USP30
SCHEMBL473808 0.85 CHRM1 (0.43) CHEK1ACHECCNCCDK8CHRM1
SCHEMBL473631 0.85 AXL (0.42) CHEK1ACHECCNCCDK8CHRM1
SCHEMBL473728 0.85 CHRM1 (0.43) CHEK1ACHECCNCCDK8CHRM1
SCHEMBL11908023 0.85 CHEK1 (0.40) CHEK1ACHECCNCCDK8USP30
SCHEMBL3722982 0.84 CCNC (0.41) CHEK1ACHECCNCCDK8USP30
SCHEMBL473797 0.84 CCNC (0.41) CHEK1ACHECCNCCDK8USP30
SCHEMBL3722936 0.84 CCNC (0.41) CHEK1ACHECCNCCDK8USP30
SCHEMBL473802 0.84 CCNC (0.41) CHEK1ACHECCNCCDK8USP30

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 CHEK1 1152/4885ACHE 4455/4885CCNC 12/4885

“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.