SCHEMBL1561286

SCHEMBL1561286

COc1cnc2[nH]c3cnc(-c4cnn(C)c4)cc3c2c1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.56
ACHE P22303 1/20 0.56
MAPT P10636 7/20 0.53
PIM1 P11309 10/20 0.52
PIM3 Q86V86 1/20 0.45
PIM2 Q9P1W9 1/20 0.45
MAP4K1 Q92918 1/20 0.41
FGFR3 P22607 1/20 0.41

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
SCHEMBL1978967 0.85 PIM1 (0.61) CHEK1ACHEMAPTPIM1PIM3
SCHEMBL12666733 0.85 CHEK1 (0.69) CHEK1ACHEMAPTPIM1PIM3
SCHEMBL473684 0.83 CHEK1 (0.58) CHEK1ACHEMAPTPIM1PIM3
SCHEMBL12435882 0.82 PIM1 (0.43) CHEK1ACHEMAPTPIM1FGFR3
SCHEMBL1559873 0.81 PIM1 (0.42) CHEK1ACHEMAPTPIM1FGFR3
SCHEMBL1559826 0.80 PIM1 (0.43) CHEK1ACHEMAPTPIM1FGFR3
SCHEMBL1561284 0.79 MAPT (0.81) CHEK1ACHEMAPTPIM1PIM3
SCHEMBL1559896 0.78 CHEK1 (0.46) CHEK1ACHEPIM1
SCHEMBL1561074 0.77 PIM1 (0.39) CHEK1ACHEPIM1FGFR3
SCHEMBL1979521 0.77 PIM1 (0.50) CHEK1ACHEMAPTPIM1PIM3

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 9 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
EP-2303882-A2 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME Sanofi-Aventis (FR) 2011-04-06 EP claimed
WO-2009150381-A2 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2009-12-17 WO 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
EP-2303882-A2 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME Sanofi-Aventis (FR) 2011-04-06 EP disclosed
WO-2009150381-A2 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2009-12-17 WO disclosed
WO-2009150381-A2 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2009-12-17 WO 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.