SCHEMBL11908069

SCHEMBL11908069

Cn1cc(-c2cc3c(cn2)[nH]c2ncc(F)c(-c4ccc(C(=O)NC[C@H]5CCNC5)cc4)c23)cn1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.41
CHEK2 O96017 1/20 0.40
MET P08581 1/20 0.40
GSK3B P49841 3/20 0.39
DYRK1A Q13627 3/20 0.39
NAMPT P43490 3/20 0.39
CHEK1 O14757 1/20 0.39
ACHE P22303 1/20 0.39
IRAK4 Q9NWZ3 4/20 0.39
IRAK1 P51617 2/20 0.39
IKBKB O14920 1/20 0.39
TLR9 Q9NR96 3/20 0.37
TLR8 Q9NR97 3/20 0.37
TLR7 Q9NYK1 3/20 0.37
WNT1 P04628 1/20 0.37
SMYD3 Q9H7B4 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
SCHEMBL11909311 1.00 PIM1 (0.41) PIM1CHEK2METGSK3BDYRK1A
SCHEMBL473718 0.96 SYK (0.41) PIM1CHEK2METGSK3BDYRK1A
SCHEMBL473787 0.96 SYK (0.41) PIM1CHEK2METGSK3BDYRK1A
SCHEMBL473788 0.87 IKBKB (0.43) CHEK2METCHEK1ACHEIKBKB
SCHEMBL3723523 0.87 IKBKB (0.43) CHEK2METCHEK1ACHEIKBKB
SCHEMBL3728754 0.86 HDAC4 (0.42) CHEK2METCHEK1ACHEIKBKB
SCHEMBL3723610 0.86 HDAC4 (0.42) CHEK2METCHEK1ACHEIKBKB
SCHEMBL11908116 0.86 CHRM1 (0.41) PIM1GSK3BDYRK1ACHEK1ACHE
SCHEMBL473640 0.84 CHEK1 (0.43) PIM1GSK3BDYRK1ACHEK1ACHE
SCHEMBL3722569 0.83 CHRM1 (0.41) PIM1GSK3BDYRK1ACHEK1ACHE

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 PIM1 3366/4885CHEK2 1176/4885MET 363/4885

“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.