SCHEMBL2215076

SCHEMBL2215076

c1cncc(-c2cnc3[nH]c4cnccc4c3c2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 4/20 0.68
ACHE P22303 1/20 0.50
DYRK1A Q13627 8/20 0.48
CLK2 P49760 6/20 0.48
CLK3 P49761 6/20 0.48
WNT1 P04628 1/20 0.48
GSK3B P49841 1/20 0.47
TDO2 P48775 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GABRP O00591 1/20 0.46
GABRD O14764 1/20 0.46
IKBKB O14920 1/20 0.46
AURKA O14965 1/20 0.46
CHUK O15111 1/20 0.46
ALDH1A1 P00352 1/20 0.46
PIM1 P11309 1/20 0.46
TOP1 P11387 1/20 0.46
GABRA1 P14867 1/20 0.46
IDO1 P14902 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL1561257 0.83 CHEK1 (0.61) CHEK1ACHEDYRK1ACLK2CLK3
SCHEMBL29475851 0.77 CHUK (0.63) CHEK1ACHEDYRK1ACLK2CLK3
SCHEMBL473671 0.77 CHUK (0.63) CHEK1ACHEDYRK1ACLK2CLK3
SCHEMBL31485825 0.77 CHUK (0.63) CHEK1ACHEDYRK1ACLK2CLK3
SCHEMBL12666705 0.77 MAPT (0.64) CHEK1ACHEDYRK1ACLK2CLK3
SCHEMBL27972258 0.76 CHUK (0.63) CHEK1TDO2KDM4EGABRPGABRD
SCHEMBL1560506 0.76 PIM1 (0.64) CHEK1ACHEDYRK1ACLK2CLK3
SCHEMBL1561356 0.76 CHEK1 (0.66) CHEK1ACHEDYRK1ACLK2CLK3
SCHEMBL17563213 0.73 CHEK1 (0.53) CHEK1GSK3BTDO2KDM4EGABRP
SCHEMBL16456187 0.72 CLK3 (0.60) CHEK1DYRK1ACLK2CLK3WNT1

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 4362/4885DYRK1A 3029/4885

“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.