SCHEMBL16791399

SCHEMBL16791399

C=CC(=O)NCC1COCCN1C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MALT1 Q9UDY8 1/20 0.43
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ POLR1A O95602 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TDP1 Q9NUW8 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ IL1B P01584 2/20 0.33
▸ TGM2 P21980 2/20 0.33
▸ P2RX7 Q99572 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ HTT P42858 1/20 0.32
▸ ZDHHC20 Q5W0Z9 1/20 0.32
▸ ZDHHC2 Q9UIJ5 1/20 0.32
▸ HIF1A Q16665 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
SCHEMBL30741404 0.81 MALT1 (0.46) MALT1KMT2AMEN1POLR1AALDH1A1
SCHEMBL23866592 0.81 MALT1 (0.46) MALT1POLR1AALDH1A1LMNATDP1
SCHEMBL12764473 0.79 KMT2A (0.36) KMT2AMEN1ALDH1A1LMNATDP1
SCHEMBL28650867 0.79 MALT1 (0.44) MALT1POLR1AALDH1A1LMNATDP1
SCHEMBL22519390 0.78 MALT1 (0.43) MALT1POLR1AALDH1A1TDP1TSHR
SCHEMBL23866586 0.78 MALT1 (0.43) MALT1POLR1AALDH1A1TDP1TSHR
SCHEMBL24492178 0.77 ALDH1A1 (0.42) MALT1POLR1AALDH1A1TDP1MAPK1
SCHEMBL16078850 0.77 ALDH1A1 (0.42) MALT1POLR1AALDH1A1TDP1MAPK1
SCHEMBL20905386 0.76 MALT1 (0.41) MALT1ALDH1A1TDP1MAPK1TSHR
SCHEMBL22010188 0.72 MALT1 (0.37) MALT1POLR1AIL1B

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-3077384-B1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS WITH ELECTROPHILIC FUNCTIONALITY HOFFMANN LA ROCHE (CH) 2017-09-06 — — EP disclosed
US-9260415-B2 Heteroaryl pyridone and aza-pyridone compounds with electrophilic functionality GENENTECH, INC. (US) 2016-02-16 — — US disclosed
US-20150158846-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS WITH ELECTROPHILIC FUNCTIONALITY GENENTECH, INC. (US) 2015-06-11 — — US disclosed
WO-2015082583-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS WITH ELECTROPHILIC FUNCTIONALITY F. HOFFMANN-LA ROCHE AG (CH) 2015-06-11 — — 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 (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-20150158846-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS WITH ELECTROPHILIC FUNCTIONALITY BTK, TYK2, LCK MALT1 22/4885KMT2A 1755/4885MEN1 2568/4885

“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.

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