SCHEMBL2214701

SCHEMBL2214701

CCOC(=O)c1cnc2[nH]c3cnc(-c4cccnc4)cc3c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.50
ACHE P22303 2/20 0.50
MMP2 P08253 1/20 0.48
MMP13 P45452 1/20 0.48
MMP14 P50281 1/20 0.48
PIM1 P11309 8/20 0.47
PIM3 Q86V86 3/20 0.47
PIM2 Q9P1W9 3/20 0.47
MAPT P10636 6/20 0.45
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
GABRP O00591 2/20 0.45
GABRD O14764 2/20 0.45
GABRA1 P14867 2/20 0.45
GABRB1 P18505 2/20 0.45
GABRG2 P18507 2/20 0.45
GABRB3 P28472 2/20 0.45
GABRA5 P31644 2/20 0.45
GABRA3 P34903 2/20 0.45

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
SCHEMBL2215200 0.89 CHEK1 (0.51) CHEK1ACHEPIM1PIM3PIM2
SCHEMBL2214797 0.89 CHEK1 (0.48) CHEK1ACHEPIM1PIM3PIM2
SCHEMBL2215323 0.87 CHEK1 (0.46) CHEK1ACHEPIM1PIM3PIM2
SCHEMBL2218638 0.86 CHEK1 (0.48) CHEK1ACHEPIM1PIM3PIM2
SCHEMBL1561273 0.84 CHEK1 (0.55) CHEK1ACHEPIM1PIM3PIM2
SCHEMBL1561366 0.82 CHEK1 (0.54) CHEK1ACHEPIM1PIM3PIM2
SCHEMBL1560958 0.81 CHEK1 (0.48) CHEK1ACHEPIM1PIM3PIM2
SCHEMBL11929451 0.80 PIM1 (0.58) CHEK1ACHEPIM1PIM3PIM2
SCHEMBL17461855 0.78 KDM4E (0.66) MAPTALDH1A1KDM4ESMN1; SMN2GABRP
SCHEMBL12594228 0.78 CYP19A1 (0.54) PIM1PIM3PIM2MAPTALDH1A1

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 5 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
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
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 4362/4885MMP2 3900/4885

“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.