SCHEMBL3728754

SCHEMBL3728754

Cn1cc(-c2cc3c(cn2)[nH]c2ncc(F)c(-c4ccc(C(=O)NC[C@@H]5CCCCN5)cc4)c23)cn1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
IKBKB O14920 13/20 0.42
CHEK1 O14757 1/20 0.40
ACHE P22303 1/20 0.40
MAP4K1 Q92918 1/20 0.40
SCN9A Q15858 1/20 0.39
CHUK O15111 1/20 0.39
MET P08581 2/20 0.38
CHEK2 O96017 1/20 0.38
SUV39H2 Q9H5I1 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
SCHEMBL3723610 1.00 HDAC4 (0.42) HDAC4HDAC6IKBKBCHEK1ACHE
SCHEMBL473788 0.98 IKBKB (0.43) HDAC4HDAC6IKBKBCHEK1ACHE
SCHEMBL3723523 0.98 IKBKB (0.43) HDAC4HDAC6IKBKBCHEK1ACHE
SCHEMBL3725168 0.88 SUV39H2 (0.46) HDAC4HDAC6IKBKBCHEK1ACHE
SCHEMBL473718 0.86 SYK (0.41) CHEK1ACHEMETCHEK2SUV39H2
SCHEMBL473787 0.86 SYK (0.41) CHEK1ACHEMETCHEK2SUV39H2
SCHEMBL11909311 0.86 PIM1 (0.41) IKBKBCHEK1ACHEMETCHEK2
SCHEMBL11908069 0.86 PIM1 (0.41) IKBKBCHEK1ACHEMETCHEK2
SCHEMBL473674 0.85 IKBKB (0.40) HDAC4HDAC6IKBKBCHEK1ACHE
SCHEMBL473640 0.84 CHEK1 (0.43) CHEK1ACHEMAP4K1

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 2 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
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 HDAC4 1980/4885HDAC6 1375/4885IKBKB 2729/4885

“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.