SCHEMBL2216558

SCHEMBL2216558

CCN(CC)CCOc1cccc(-c2cnc3[nH]c4cnc(-c5cnn(C)c5)cc4c3c2)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 7/20 0.54
ACHE P22303 6/20 0.54
MAPT P10636 2/20 0.45
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
PIM1 P11309 6/20 0.43
CLK2 P49760 2/20 0.40
CLK3 P49761 2/20 0.40
DYRK1A Q13627 2/20 0.40
WNT1 P04628 1/20 0.40
PIM3 Q86V86 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
FGFR1 P11362 1/20 0.38
FGFR2 P21802 1/20 0.38
FGFR4 P22455 1/20 0.38
FGFR3 P22607 1/20 0.38
KDR P35968 1/20 0.38

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 0.85 CHEK1 (0.52) CHEK1ACHEADORA2AADORA1PIM1
SCHEMBL2214724 0.82 CHEK1 (0.57) CHEK1ACHEMAPTPIM1
SCHEMBL12666733 0.79 CHEK1 (0.69) CHEK1ACHEMAPTPIM1PIM3
SCHEMBL2219568 0.78 ACHE (0.43) CHEK1ACHEMAPTADORA2AADORA1
SCHEMBL1560047 0.76 CHEK1 (0.69) CHEK1ACHEMAPTPIM1DYRK1A
SCHEMBL2214372 0.76 ACHE (0.41) CHEK1ACHEMAPTPIM1FGFR1
SCHEMBL2218322 0.75 CHEK1 (0.49) CHEK1ACHEPIM1CLK2CLK3
SCHEMBL2215993 0.75 CHEK1 (0.53) CHEK1ACHEMAPTPIM1PIM3
SCHEMBL1979788 0.74 CHEK1 (0.47) CHEK1ACHEMAPTPIM1WNT1
SCHEMBL1559851 0.74 CHEK1 (0.63) CHEK1ACHE

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 4362/4885MAPT 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.