SCHEMBL20152084

SCHEMBL20152084

CCNC(=O)c1nnn[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
GAA P10253 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
CA9 Q16790 2/20 0.33
CA1 P00915 1/20 0.33
KMT2A Q03164 1/20 0.32
PIN1 Q13526 1/20 0.32
TSHR P16473 1/20 0.32
CDK8 P49336 1/20 0.31
CA12 O43570 1/20 0.31
ALOX15 P16050 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL15056705 0.78
SCHEMBL15004583 0.78
SCHEMBL9505485 0.75
SCHEMBL1919893 0.75
SCHEMBL22372054 0.75 TDP1 (0.40) ALDH1A1KDM4EHDAC6
SCHEMBL18896198 0.73 ADORA3 (0.41) ALDH1A1SMN1; SMN2MMP1MMP2MMP9
SCHEMBL11327659 0.71 LMNA (0.62) ALDH1A1SMN1; SMN2KMT2ATSHRLMNA
SCHEMBL12676638 0.70 GAA (0.41) ALDH1A1GAASMN1; SMN2CA9CA1
SCHEMBL13446579 0.70 ABL1 (0.40) ALDH1A1SMN1; SMN2
SCHEMBL14562887 0.69

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
WO-2020011254-A1 FUSED TRI-CYCLIC COMPOUND AS PDE3/PDE4 DUAL INHIBITOR 正大天晴药业集团股份有限公司 2020-01-16 WO disclosed
US-10369140-B2 Aryl dihydropyridinones and piperidinone MGAT2 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-08-06 US disclosed
US-20180133198-A1 ARYL DIHYDROPYRIDINONES AND PIPERIDINONE MGAT2 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-05-17 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 (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-20180133198-A1 ARYL DIHYDROPYRIDINONES AND PIPERIDINONE MGAT2 INHIBITORS DGAT2, MGAT2, MGAT1 ALDH1A1 284/4885GAA 297/4885SMN1; SMN2 4109/4885
US-10369140-B2 Aryl dihydropyridinones and piperidinone MGAT2 inhibitors DGAT2, MGAT2, MGAT1 ALDH1A1 284/4885GAA 297/4885SMN1; SMN2 4109/4885

“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.