SCHEMBL17014183

SCHEMBL17014183

C=CCN(C/C(=N/O)c1cnccn1)B(C)O

nearest known ligand 0.31

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
NAPRT Q6XQN6 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
GAA P10253 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
BAZ2B Q9UIF8 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
TSHR P16473 1/20 0.30
MC4R P32245 1/20 0.30
ADRA1A P35348 1/20 0.30
MC3R P41968 1/20 0.30

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
SCHEMBL17014177 0.82 KDM4E (0.39) KDM4ENAPRTHCAR2GAASMN1; SMN2
SCHEMBL17014179 0.78 MT-CO1 (0.30)
SCHEMBL15660744 0.77 KDM4E (0.41) KDM4ENAPRTHCAR2GAASMN1; SMN2
SCHEMBL15660742 0.77 KDM4E (0.41) KDM4ENAPRTHCAR2GAASMN1; SMN2
SCHEMBL15661869 0.73 KDM4E (0.33) KDM4ENAPRTHCAR2GAASMN1; SMN2
SCHEMBL15661870 0.73 KDM4E (0.33) KDM4ENAPRTHCAR2GAASMN1; SMN2
SCHEMBL15294847 0.73 ATM (0.34) ALDH1A1TSHR
SCHEMBL15294849 0.72
SCHEMBL15294850 0.69 ALDH1A1 (0.34) GAASMN1; SMN2ALDH1A1MAPTRAB9A
SCHEMBL17014180 0.66 CTNNB1 (0.42) KDM4ENAPRTGAASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9328124-B2 BACE inhibitors ELI LILLY AND COMPANY (US) 2016-05-03 US disclosed
US-20150232483-A1 BACE INHIBITORS ELI LILLY AND COMPANY 2015-08-20 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-20150232483-A1 BACE INHIBITORS BACE1, BACE2, APP KDM4E 2782/4885NAPRT 2861/4885HCAR2 1599/4885

“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.