SCHEMBL1561400

SCHEMBL1561400

CN1CCN(CCCn2cc(-c3cnc4[nH]c5cnc(-c6cnn(C)c6)cc5c4c3)cn2)CC1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 11/20 0.60
ACHE P22303 9/20 0.60
PIM1 P11309 7/20 0.44
MAPT P10636 1/20 0.43
PIM3 Q86V86 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
ALK Q9UM73 1/20 0.40

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
SCHEMBL2214638 0.88 CHEK1 (0.57) CHEK1ACHEPIM1MAPTPIM3
SCHEMBL12666733 0.84 CHEK1 (0.69) CHEK1ACHEPIM1MAPTPIM3
SCHEMBL2214724 0.81 CHEK1 (0.57) CHEK1ACHEPIM1MAPTALK
SCHEMBL1559851 0.77 CHEK1 (0.63) CHEK1ACHE
SCHEMBL1560047 0.77 CHEK1 (0.69) CHEK1ACHEPIM1MAPTPIM3
SCHEMBL1893929 0.75 CHEK1 (1.00) CHEK1ACHE
SCHEMBL1895115 0.73 CHEK1 (0.83) CHEK1ACHE
SCHEMBL1889020 0.73 CHEK1 (0.83) CHEK1ACHE
SCHEMBL12666698 0.73 CHEK1 (0.82) CHEK1ACHE
SCHEMBL1560955 0.73 CHEK1 (0.59) CHEK1ACHEPIM1

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 6 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
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

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 4362/4885PIM1 2969/4885

“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.