SCHEMBL2995948

SCHEMBL2995948

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
ALOX15 P16050 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
CSNK2A2 P19784 1/20 0.34
CSNK2A1 P68400 1/20 0.34
TSHR P16473 1/20 0.33
PRMT1 Q99873 1/20 0.33

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
SCHEMBL2996780 0.86 LMNA (0.42) LMNAJAK2JAK1TYK2JAK3
SCHEMBL2993763 0.85 POLB (0.49) LMNASMN1; SMN2KDM4EALOX15OPRM1
SCHEMBL3000778 0.83 MALT1 (0.38) LMNAKDM4EALOX15ALDH1A1HPGD
SCHEMBL2992353 0.81 POLB (0.41) SMN1; SMN2KDM4EALOX15ALDH1A1
SCHEMBL3002690 0.72 PIM1 (0.39) LMNAKDM4EKMT2AALDH1A1HPGD
SCHEMBL2995950 0.68 MAOB (0.49) SMN1; SMN2KDM4EKMT2AMEN1ALOX15
SCHEMBL2990214 0.68 CHRNB2 (0.43) JAK2JAK1TYK2JAK3ALDH1A1
SCHEMBL3034216 0.67 ALDH1A1 (0.50) SMN1; SMN2KDM4EALDH1A1
SCHEMBL2793769 0.67 IKBKB (0.40) LMNAJAK2TYK2KDM4EKMT2A
SCHEMBL14937955 0.67 TSHR (0.42) SMN1; SMN2KDM4EKMT2AMEN1SIGMAR1

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 2542/4885JAK2 112/4885JAK1 362/4885
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 LMNA 2542/4885JAK2 112/4885JAK1 362/4885

“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.