SCHEMBL2996780

SCHEMBL2996780

NCCCNC(=O)c1cc[c]c(C(N)=O)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MALT1 Q9UDY8 1/20 0.39
MAOB P27338 1/20 0.38
F2 P00734 1/20 0.37
F10 P00742 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
ST14 Q9Y5Y6 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
MAPK8 P45983 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
ABL1 P00519 1/20 0.34
EGFR P00533 1/20 0.34
SRC P12931 1/20 0.34

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
SCHEMBL2995948 0.86 LMNA (0.40) LMNAKDM4EJAK2JAK1TYK2
SCHEMBL2993763 0.85 POLB (0.49) LMNAKDM4EMALT1MAPK8SMN1; SMN2
SCHEMBL3000778 0.83 MALT1 (0.38) LMNAKDM4EHSD17B10MALT1
SCHEMBL2992353 0.81 POLB (0.41) KDM4EHSD17B10MALT1SMN1; SMN2
SCHEMBL27892337 0.78 LMNA (0.60) LMNAKDM4EHSD17B10MALT1MAOB
SCHEMBL3002690 0.74 PIM1 (0.39) LMNAKDM4EHSD17B10
SCHEMBL3004642 0.72 CSNK2A2 (0.36)
SCHEMBL24742211 0.71 ALDH1A1 (0.58) LMNAKDM4EHSD17B10MALT1MAOB
SCHEMBL16492626 0.70 ALDH1A1 (0.66) SMN1; SMN2
SCHEMBL31245888 0.69 KDM4E (0.46) LMNAKDM4EHSD17B10MALT1MAOB

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-20100190773-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 US claimed
US-20060276496-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-12-07 US claimed

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-20060276496-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 LMNA 2542/4885KDM4E 2943/4885HSD17B10 2791/4885
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 LMNA 2542/4885KDM4E 2943/4885HSD17B10 2791/4885

“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.