SCHEMBL2215178

SCHEMBL2215178

CCNCCCOc1ccc(-c2c(OCCOC)cnc3[nH]c4cnc(-c5cnn(C)c5)cc4c23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.41
ACHE P22303 1/20 0.41
PIM1 P11309 7/20 0.39
MAPT P10636 4/20 0.38
MAP4K1 Q92918 3/20 0.35
LRRK2 Q5S007 1/20 0.35
FGFR1 P11362 1/20 0.35
FGFR2 P21802 1/20 0.35
FGFR4 P22455 1/20 0.35
FGFR3 P22607 1/20 0.35
KDR P35968 1/20 0.35
FLT3 P36888 2/20 0.34
CSF1R P07333 1/20 0.34
PDGFRA P16234 1/20 0.34
PIM3 Q86V86 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
TTK P33981 1/20 0.34
NEK1 Q96PY6 1/20 0.33
NTRK1 P04629 1/20 0.33
KIT P10721 1/20 0.33

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
SCHEMBL12598096 0.92 NEK1 (0.39) CHEK1ACHEPIM1MAPTMAP4K1
SCHEMBL2214372 0.88 ACHE (0.41) CHEK1ACHEPIM1MAPTFGFR1
SCHEMBL2216343 0.87 PIM1 (0.45) CHEK1ACHEPIM1MAPTMAP4K1
SCHEMBL1981524 0.86 NEK1 (0.45) CHEK1ACHEPIM1MAPTMAP4K1
SCHEMBL1982365 0.83 NEK1 (0.39) CHEK1ACHEPIM1MAPTMAP4K1
SCHEMBL1561369 0.82 CHEK1 (0.40) CHEK1ACHEPIM1MAPTMAP4K1
SCHEMBL1981079 0.82 NEK1 (0.37) CHEK1ACHEPIM1MAPTMAP4K1
SCHEMBL1560987 0.80 CHEK1 (0.48) CHEK1ACHEFGFR1FGFR2FGFR4
SCHEMBL473693 0.80 CHEK1 (0.40) CHEK1ACHEPIM1MAPTMAP4K1
SCHEMBL1982251 0.80 PIM1 (0.42) CHEK1ACHEPIM1MAPTMAP4K1

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 4362/4885PIM1 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.