SCHEMBL11908482

SCHEMBL11908482

Cn1cc(-c2cc3c(cn2)[nH]c2ncc(F)c(-c4ccc(C(=O)NCCN5CCC[C@H](CO)C5)cc4)c23)cn1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.44
ACHE P22303 1/20 0.44
GSK3B P49841 5/20 0.38
DYRK1A Q13627 5/20 0.38
LRRK2 Q5S007 4/20 0.37
ATR Q13535 2/20 0.37
TLR9 Q9NR96 2/20 0.36
TLR7 Q9NYK1 2/20 0.36
TLR8 Q9NR97 1/20 0.36
CACNA1H O95180 1/20 0.36
CYP2D6 P10635 1/20 0.36
KCNH2 Q12809 1/20 0.36
PIM1 P11309 4/20 0.36
SLC40A1 Q9NP59 1/20 0.35

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
SCHEMBL473698 0.92 CHEK1 (0.45) CHEK1ACHEGSK3BDYRK1AATR
SCHEMBL3722945 0.92 CHEK1 (0.45) CHEK1ACHEGSK3BDYRK1AATR
SCHEMBL473686 0.89 CHEK1 (0.43) CHEK1ACHEGSK3BDYRK1APIM1
SCHEMBL473683 0.89 CHEK1 (0.43) CHEK1ACHEGSK3BDYRK1APIM1
SCHEMBL474973 0.88 CHEK1 (0.40) CHEK1ACHETLR9TLR7TLR8
SCHEMBL473651 0.88 CHEK1 (0.40) CHEK1ACHETLR9TLR7TLR8
SCHEMBL473688 0.86 CHEK1 (0.42) CHEK1ACHEATRPIM1
SCHEMBL473762 0.86 CHEK1 (0.42) CHEK1ACHEATRPIM1
SCHEMBL473640 0.85 CHEK1 (0.43) CHEK1ACHEGSK3BDYRK1AATR
SCHEMBL11937135 0.82 FYN (0.46) CHEK1ACHETLR9TLR7TLR8

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 1 patent. 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

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 4455/4885GSK3B 3703/4885

“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.