SCHEMBL1561273

SCHEMBL1561273

O=C(O)c1cnc2[nH]c3cnc(-c4cccnc4)cc3c2c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.55
ACHE P22303 1/20 0.53
PIM1 P11309 11/20 0.52
PIM2 Q9P1W9 4/20 0.52
PIM3 Q86V86 3/20 0.52
KMO O15229 2/20 0.49
CLK2 P49760 3/20 0.47
CLK3 P49761 3/20 0.47
DYRK1A Q13627 3/20 0.47
FHIT P49789 1/20 0.47
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45

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
SCHEMBL2215200 0.87 CHEK1 (0.51) CHEK1ACHEPIM1PIM2PIM3
SCHEMBL1984452 0.85 FHIT (0.55) PIM1PIM2PIM3KMOCLK2
SCHEMBL2214701 0.84 CHEK1 (0.50) CHEK1ACHEPIM1PIM2PIM3
SCHEMBL2218638 0.84 CHEK1 (0.48) CHEK1ACHEPIM1PIM2PIM3
SCHEMBL1561263 0.83 CHEK1 (0.60) CHEK1ACHEPIM1PIM2PIM3
SCHEMBL473761 0.82 PIM1 (0.61) CHEK1ACHEPIM1PIM2PIM3
SCHEMBL473752 0.81 CHEK1 (0.56) CHEK1ACHEPIM1PIM2PIM3
SCHEMBL12512644 0.81 CHEK1 (0.56) CHEK1ACHEPIM1PIM2PIM3
SCHEMBL11929451 0.81 PIM1 (0.58) CHEK1ACHEPIM1PIM2PIM3
SCHEMBL1560543 0.81 CHEK1 (0.56) CHEK1ACHEPIM1PIM2PIM3

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110178053-A1 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2011-07-21 US claimed
EP-2303882-A2 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME Sanofi-Aventis (FR) 2011-04-06 EP claimed
WO-2009150381-A2 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2009-12-17 WO claimed
US-20110178053-A1 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2011-07-21 US disclosed
US-20110178053-A1 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2011-07-21 US disclosed
US-20110178053-A1 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2011-07-21 US disclosed
EP-2303882-A2 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME Sanofi-Aventis (FR) 2011-04-06 EP disclosed
WO-2009150381-A2 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2009-12-17 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-20110178053-A1 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME AOC3, CBR3, IDH3B CHEK1 786/4885ACHE 4362/4885PIM1 2969/4885

“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.