SCHEMBL2217883

SCHEMBL2217883

CCN(CC)CCOc1cccc(-c2cnc3[nH]c4cnc(-c5cccnc5)cc4c3c2)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 8/20 0.52
ACHE P22303 5/20 0.52
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
KIT P10721 1/20 0.42
WNT1 P04628 2/20 0.41
PIM1 P11309 3/20 0.41
PIM3 Q86V86 2/20 0.41
PIM2 Q9P1W9 2/20 0.41
LYN P07948 1/20 0.40
AGER Q15109 1/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
TGFBR1 P36897 1/20 0.39
NEK1 Q96PY6 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
SCHEMBL2218322 0.91 CHEK1 (0.49) CHEK1ACHEWNT1PIM1PIM3
SCHEMBL2215963 0.86 CHEK1 (0.56) CHEK1ACHEWNT1PIM1PIM3
SCHEMBL2216558 0.85 CHEK1 (0.54) CHEK1ACHEADORA2AADORA1WNT1
SCHEMBL2217093 0.81 CHEK1 (0.57) CHEK1ACHEKITPIM1PIM3
SCHEMBL2215993 0.80 CHEK1 (0.53) CHEK1ACHEPIM1PIM3PIM2
SCHEMBL2214322 0.79 PIM1 (0.40) CHEK1ACHEWNT1PIM1PIM3
SCHEMBL1559867 0.79 CHEK1 (0.51) CHEK1ACHEPIM1PIM3PIM2
SCHEMBL2215198 0.79 CHEK1 (0.53) CHEK1ACHEWNT1PIM1PIM3
SCHEMBL2214793 0.78 CHEK1 (0.53) CHEK1ACHEWNT1PIM1PIM3
SCHEMBL2220540 0.78 CHEK1 (0.48) CHEK1ACHEWNT1PIM1PIM3

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 4 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
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

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 4362/4885ADORA2A 1488/4885

“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.