SCHEMBL3000971

SCHEMBL3000971

O=C(Nc1cccnc1)c1ccc2[nH]c3c(c2c1)CCC/C3=N/O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 4/20 0.68
MAPK1 P28482 2/20 0.55
MAP2K1 Q02750 1/20 0.55
MAPT P10636 4/20 0.48
NPC1 O15118 2/20 0.48
POLB P06746 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
RAB9A P51151 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
NAMPT P43490 2/20 0.46
LMNA P02545 3/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
HIF1A Q16665 1/20 0.44
USP2 O75604 1/20 0.43

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
SCHEMBL2990223 1.00 MAPKAPK2 (0.68) MAPKAPK2MAPK1MAP2K1MAPTNPC1
SCHEMBL2990226 1.00 MAPKAPK2 (0.68) MAPKAPK2MAPK1MAP2K1MAPTNPC1
SCHEMBL2990924 0.91 MAPKAPK2 (0.66) MAPKAPK2MAPK1MAP2K1MAPTNPC1
SCHEMBL2990921 0.91 MAPKAPK2 (0.66) MAPKAPK2MAPK1MAP2K1MAPTNPC1
SCHEMBL2998498 0.87 MAPKAPK2 (0.75) MAPKAPK2MAPK1MAP2K1MAPTNPC1
SCHEMBL2996144 0.83 MAPKAPK2 (0.89) MAPKAPK2MAPK1MAP2K1NPC1NAMPT
SCHEMBL2987036 0.83 MAPKAPK2 (0.87) MAPKAPK2MAPK1MAP2K1NPC1NAMPT
SCHEMBL2994733 0.81 MAPKAPK2 (0.57) MAPKAPK2MAPK1MAP2K1NPC1NAMPT
SCHEMBL2994736 0.81 MAPKAPK2 (0.57) MAPKAPK2MAPK1MAP2K1NPC1NAMPT
SCHEMBL2998184 0.81 MAPKAPK2 (1.00) MAPKAPK2MAPK1MAP2K1MAPTLMNA

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 6 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-20100190773-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 US disclosed
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.