SCHEMBL2216489

SCHEMBL2216489

OC(COc1ccc(-c2c(F)cnc3[nH]c4cnc(-c5cccnc5)cc4c23)cc1)CN1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.48
CHEK1 O14757 1/20 0.42
ACHE P22303 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ABCB1 P08183 4/20 0.42
GAA P10253 2/20 0.41
MAPK1 P28482 2/20 0.41
KMT2A Q03164 2/20 0.41
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 1/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39

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
SCHEMBL1561132 0.87 PADI4 (0.47) CHEK1ACHE
SCHEMBL1979784 0.84 PKM (0.47) PKMKDM4EALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL11908137 0.80 WNT1 (0.53) CHEK1ACHESMN1; SMN2
SCHEMBL1559853 0.80 ACHE (0.53) CHEK1ACHE
SCHEMBL2214652 0.80 RIPK1 (0.49) CHEK1ACHEKMT2A
SCHEMBL1560994 0.79 CHEK1 (0.51) CHEK1ACHEKDM4EALDH1A1ABCB1
SCHEMBL11907862 0.79 SMN1; SMN2 (0.52) KDM4EALDH1A1SMN1; SMN2TSHR
SCHEMBL1560888 0.78 PIM1 (0.39) CHEK1ACHE
SCHEMBL2216832 0.77 PIM1 (0.50) CHEK1ACHE
SCHEMBL11929462 0.76 JAK2 (0.47) CHEK1ACHEKMT2A

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 4 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

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 PKM 2627/4885CHEK1 786/4885ACHE 4362/4885

“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.