SCHEMBL2218322

SCHEMBL2218322

CCN(CC)CCOc1cnc2[nH]c3cnc(-c4cccnc4)cc3c2c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.49
ACHE P22303 1/20 0.49
LYN P07948 3/20 0.44
PIM1 P11309 10/20 0.43
PIM2 Q9P1W9 3/20 0.43
PIM3 Q86V86 2/20 0.43
SRC P12931 2/20 0.41
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41
CLK2 P49760 2/20 0.40
CLK3 P49761 2/20 0.40
DYRK1A Q13627 2/20 0.40
BTK Q06187 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
WNT1 P04628 1/20 0.39

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
SCHEMBL2217883 0.91 CHEK1 (0.52) CHEK1ACHELYNPIM1PIM2
SCHEMBL1561366 0.87 CHEK1 (0.54) CHEK1ACHEPIM1PIM2PIM3
SCHEMBL473703 0.86 CHEK1 (0.52) CHEK1ACHEPIM1PIM2PIM3
SCHEMBL2220540 0.85 CHEK1 (0.48) CHEK1ACHEPIM1PIM2PIM3
SCHEMBL1561133 0.82 CHEK1 (0.53) CHEK1ACHEPIM1PIM2PIM3
SCHEMBL2214322 0.82 PIM1 (0.40) CHEK1ACHELYNPIM1PIM2
SCHEMBL1560934 0.81 CHEK1 (0.52) CHEK1ACHEPIM1PIM2PIM3
SCHEMBL2214793 0.79 CHEK1 (0.53) CHEK1ACHEPIM1PIM2PIM3
SCHEMBL2215393 0.78 CHEK1 (0.51) CHEK1ACHEPIM1PIM2PIM3
SCHEMBL2217093 0.78 CHEK1 (0.57) 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 2 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
US-20110178053-A1 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2011-07-21 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-20110178053-A1 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME AOC3, CBR3, IDH3B CHEK1 786/4885ACHE 4362/4885LYN 1681/4885

“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.