SCHEMBL2214372

SCHEMBL2214372

CCN(CC)CCOc1ccc(-c2c(OCCOC)cnc3[nH]c4cnc(-c5cnn(C)c5)cc4c23)cc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.41
CHEK1 O14757 1/20 0.41
MAPT P10636 3/20 0.38
PIM1 P11309 3/20 0.37
FGFR1 P11362 1/20 0.36
FGFR2 P21802 1/20 0.36
FGFR4 P22455 1/20 0.36
FGFR3 P22607 1/20 0.36
KDR P35968 1/20 0.36

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
SCHEMBL2215178 0.88 CHEK1 (0.41) ACHECHEK1MAPTPIM1FGFR1
SCHEMBL2219568 0.87 ACHE (0.43) ACHECHEK1MAPTPIM1
SCHEMBL1561369 0.84 CHEK1 (0.40) ACHECHEK1MAPTPIM1FGFR1
SCHEMBL1560987 0.80 CHEK1 (0.48) ACHECHEK1FGFR1FGFR2FGFR4
SCHEMBL12598096 0.79 NEK1 (0.39) ACHECHEK1MAPTPIM1FGFR1
SCHEMBL1561170 0.79 CHEK1 (0.38) ACHECHEK1MAPTPIM1FGFR1
SCHEMBL473693 0.79 CHEK1 (0.40) ACHECHEK1MAPTPIM1FGFR1
SCHEMBL2216558 0.76 CHEK1 (0.54) ACHECHEK1MAPTPIM1FGFR1
SCHEMBL11907769 0.75 MERTK (0.39) ACHECHEK1PIM1FGFR2KDR
SCHEMBL1980500 0.74 PIM1 (0.49) ACHECHEK1MAPTPIM1

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 ACHE 4362/4885CHEK1 786/4885MAPT 4868/4885

“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.