SCHEMBL12435346

SCHEMBL12435346

Cc1ccnc2[nH]c3cnc(-c4cccnc4)cc3c12

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 14/20 0.66
PIM2 Q9P1W9 5/20 0.66
PIM3 Q86V86 4/20 0.66
CYP2A6 P11509 1/20 0.51
CLK2 P49760 4/20 0.50
CLK3 P49761 4/20 0.50
DYRK1A Q13627 4/20 0.50
CHEK1 O14757 1/20 0.47
ACHE P22303 1/20 0.47

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
SCHEMBL1561306 0.84 PIM1 (0.55) PIM1PIM2PIM3CLK2CLK3
SCHEMBL1560900 0.83 PIM1 (0.57) PIM1PIM2PIM3CLK2CLK3
SCHEMBL473761 0.81 PIM1 (0.61) PIM1PIM2PIM3CLK2CLK3
SCHEMBL11929451 0.81 PIM1 (0.58) PIM1PIM2PIM3CYP2A6CLK2
SCHEMBL1560941 0.79 PIM1 (0.52) PIM1PIM2PIM3CLK2CLK3
SCHEMBL473831 0.79 PIM1 (0.52) PIM1PIM2PIM3CLK2CLK3
SCHEMBL13190544 0.78 PIM1 (0.52) PIM1PIM2PIM3CYP2A6CLK2
SCHEMBL1559818 0.78 PIM1 (0.51) PIM1PIM2PIM3CLK2CLK3
SCHEMBL2218210 0.77 PIM1 (0.51) PIM1PIM2PIM3CLK2CLK3
SCHEMBL1561129 0.77 PIM1 (0.51) PIM1PIM2PIM3CLK2CLK3

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 1 patent. 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 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 PIM1 2969/4885PIM2 3258/4885PIM3 1240/4885

“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.