SCHEMBL3000941

SCHEMBL3000941

CC1(C)CCC(=NN)c2[nH]c3ccc(C(=O)Nc4cccnc4)cc3c21

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 10/20 0.56
MAPK1 P28482 1/20 0.56
MAP2K1 Q02750 1/20 0.56
LMNA P02545 1/20 0.45
NAMPT P43490 2/20 0.43
MAPT P10636 1/20 0.43
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL3000940 1.00 MAPKAPK2 (0.56) MAPKAPK2MAPK1MAP2K1LMNANAMPT
SCHEMBL2994736 0.92 MAPKAPK2 (0.57) MAPKAPK2MAPK1MAP2K1LMNANAMPT
SCHEMBL2994733 0.92 MAPKAPK2 (0.57) MAPKAPK2MAPK1MAP2K1LMNANAMPT
SCHEMBL2995075 0.87 MAPKAPK2 (0.62) MAPKAPK2MAPK1MAP2K1LMNANAMPT
SCHEMBL2991108 0.81 MAPKAPK2 (0.66) MAPKAPK2MAPK1MAP2K1
SCHEMBL3001287 0.81 MAPKAPK2 (0.56) MAPKAPK2MAPK1MAP2K1LMNAMAPT
SCHEMBL3001291 0.81 MAPKAPK2 (0.56) MAPKAPK2MAPK1MAP2K1LMNAMAPT
SCHEMBL2997890 0.77 MAPKAPK2 (0.56) MAPKAPK2MAPK1MAP2K1LMNANAMPT
SCHEMBL14731504 0.77 MAPKAPK2 (0.53) MAPKAPK2MAPK1MAP2K1LMNANAMPT
SCHEMBL2990921 0.74 MAPKAPK2 (0.66) MAPKAPK2MAPK1MAP2K1LMNANAMPT

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
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
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 US disclosed
US-20060276496-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-12-07 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-20060276496-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 MAPKAPK2 1/4885MAPK1 33/4885MAP2K1 65/4885
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 MAPKAPK2 1/4885MAPK1 33/4885MAP2K1 65/4885

“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.