SCHEMBL18706155

SCHEMBL18706155

CN(C)C=NNC(=O)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 2/20 0.33
HTT P42858 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.31
BCAT1 P54687 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL18706152 1.00 KDM4E (0.46) KDM4ESMN1; SMN2POLBHTTL3MBTL1
SCHEMBL19400610 0.75 KDM4E (0.46) KDM4EPOLBHTTL3MBTL1MAPT
SCHEMBL19295799 0.75 KDM4E (0.46) KDM4EPOLBHTTL3MBTL1MAPT
SCHEMBL22708745 0.75 KDM4E (0.46) KDM4EPOLBHTTL3MBTL1MAPT
SCHEMBL21471178 0.75 POLB (0.36) POLBHTTL3MBTL1
SCHEMBL3031341 0.75
SCHEMBL15043322 0.75
SCHEMBL3031343 0.75
SCHEMBL16452389 0.73 POLB (0.59) SMN1; SMN2POLBHTTL3MBTL1
SCHEMBL14296163 0.73 POLB (0.59) SMN1; SMN2POLBHTTL3MBTL1

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
EP-3359537-B1 TRIAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-03-25 EP disclosed
US-10273217-B2 Triazole derivatives HOFFMANN-LA ROCHE INC. (US) 2019-04-30 US disclosed
US-20180237401-A1 TRIAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-08-23 US disclosed
WO-2017060202-A1 TRIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2017-04-13 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 (2 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-20180237401-A1 TRIAZOLE DERIVATIVES MC2R, MC3R, OXTR KDM4E 2864/4885SMN1; SMN2 3878/4885POLB 2378/4885
US-10273217-B2 Triazole derivatives MC2R, MC3R, OXTR KDM4E 2864/4885SMN1; SMN2 3878/4885POLB 2378/4885

“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.