SCHEMBL2244050

SCHEMBL2244050

[CH]1NCCc2[nH]c3ccncc3c21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.46
CHUK O15111 5/20 0.39
KDM4E B2RXH2 1/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
IKBKB O14920 1/20 0.39
AURKA O14965 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PIM1 P11309 1/20 0.39
TOP1 P11387 1/20 0.39
GABRA1 P14867 1/20 0.39
IDO1 P14902 1/20 0.39
HPGD P15428 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 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
SCHEMBL2243084 0.87 CHUK (0.46) CHUKKDM4EGABRPGABRDIKBKB
SCHEMBL1456916 0.76 HTR2A (0.51) KDM4EALDH1A1HPGDSMN1; SMN2PARP1
SCHEMBL2244054 0.70 ACHE (0.41) ACHECHUKKDM4EGABRPGABRD
SCHEMBL29453278 0.68 ACHE (0.50) ACHECHUKKDM4EGABRPGABRD
SCHEMBL2222493 0.68 MAPT (0.47) ACHEKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL997668 0.68 NISCH (0.61) ACHEKDM4EPARP1FEN1
SCHEMBL972999 0.68 ACHE (0.78) ACHECHUKKDM4EGABRPGABRD
SCHEMBL29642993 0.68 ACHE (0.78) ACHECHUKKDM4EGABRPGABRD
SCHEMBL12590220 0.65 CHUK (0.73) ACHECHUKKDM4EGABRPGABRD
SCHEMBL29478498 0.65 CHUK (0.73) ACHECHUKKDM4EGABRPGABRD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170879-B1 1-CYANOCYCLOPROPYL-DERIVATIVES AS CATHEPSIN K INHIBITORS ASTRAZENECA AB (SE) 2013-01-16 EP disclosed
US-8008279-B2 Compound—827 ASTRAZENECA AB (SE) 2011-08-30 US disclosed
US-20090012077-A1 Novel Compound - 827 ASTRAZENECA AB (SE) 2009-01-08 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-20090012077-A1 Novel Compound - 827 CTSS, CTSF, CTSB ACHE 2233/4885CHUK 402/4885KDM4E 2895/4885

“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.