SCHEMBL473674

SCHEMBL473674

Cn1cc(-c2cc3c(cn2)[nH]c2ncc(OC4COC4)c(-c4ccc(C(=O)NC[C@H]5CCCN5)cc4)c23)cn1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 15/20 0.40
SUV39H2 Q9H5I1 2/20 0.39
CHEK2 O96017 1/20 0.39
MET P08581 1/20 0.39
CHUK O15111 2/20 0.38
CHEK1 O14757 1/20 0.38
ACHE P22303 1/20 0.38
HDAC4 P56524 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CDK2 P24941 1/20 0.36
MAPK10 P53779 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
SCHEMBL3725168 0.91 SUV39H2 (0.46) IKBKBSUV39H2CHEK2METCHUK
SCHEMBL473788 0.87 IKBKB (0.43) IKBKBSUV39H2CHEK2METCHUK
SCHEMBL3723523 0.87 IKBKB (0.43) IKBKBSUV39H2CHEK2METCHUK
SCHEMBL12597811 0.86 IKBKB (0.41) IKBKBSUV39H2CHEK2METCHUK
SCHEMBL3723833 0.86 CHEK1 (0.39) CHEK1ACHE
SCHEMBL1979326 0.85 SUV39H2 (0.45) IKBKBSUV39H2CHEK2METCHUK
SCHEMBL3728754 0.85 HDAC4 (0.42) IKBKBSUV39H2CHEK2METCHUK
SCHEMBL3723610 0.85 HDAC4 (0.42) IKBKBSUV39H2CHEK2METCHUK
SCHEMBL11908837 0.84 SUV39H2 (0.44) IKBKBSUV39H2CHEK2METCHUK
SCHEMBL12597421 0.80 IKBKB (0.44) IKBKBSUV39H2CHEK2METCHUK

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 IKBKB 2729/4885SUV39H2 1241/4885CHEK2 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.