SCHEMBL473787

SCHEMBL473787

Cn1cc(-c2cc3c(cn2)[nH]c2ncc(F)c(-c4ccc(C(=O)NC[C@H]5CCCNC5)cc4)c23)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.41
AURKB Q96GD4 2/20 0.41
CHEK2 O96017 3/20 0.41
MET P08581 3/20 0.41
SUV39H2 Q9H5I1 2/20 0.40
IRAK1 P51617 2/20 0.40
IRAK4 Q9NWZ3 2/20 0.40
CHEK1 O14757 1/20 0.40
ACHE P22303 1/20 0.40
PIM1 P11309 2/20 0.39
PIM3 Q86V86 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
GSK3B P49841 4/20 0.39
DYRK1A Q13627 4/20 0.39
ACP1 P24666 1/20 0.38
TLR9 Q9NR96 2/20 0.38
TLR8 Q9NR97 2/20 0.38
TLR7 Q9NYK1 2/20 0.38
WNT1 P04628 2/20 0.37
MAPK1 P28482 1/20 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
SCHEMBL473718 1.00 SYK (0.41) SYKAURKBCHEK2METSUV39H2
SCHEMBL11908069 0.96 PIM1 (0.41) CHEK2METIRAK1IRAK4CHEK1
SCHEMBL11909311 0.96 PIM1 (0.41) CHEK2METIRAK1IRAK4CHEK1
SCHEMBL473788 0.88 IKBKB (0.43) CHEK2METSUV39H2CHEK1ACHE
SCHEMBL3723523 0.88 IKBKB (0.43) CHEK2METSUV39H2CHEK1ACHE
SCHEMBL3728754 0.86 HDAC4 (0.42) CHEK2METSUV39H2CHEK1ACHE
SCHEMBL3723610 0.86 HDAC4 (0.42) CHEK2METSUV39H2CHEK1ACHE
SCHEMBL3722569 0.84 CHRM1 (0.41) IRAK1CHEK1ACHEPIM1GSK3B
SCHEMBL11908188 0.84 CHRM1 (0.41) IRAK1CHEK1ACHEPIM1GSK3B
SCHEMBL11907836 0.84 CHRM1 (0.41) IRAK1CHEK1ACHEPIM1GSK3B

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 SYK 3162/4885AURKB 1923/4885CHEK2 1176/4885

“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.