SCHEMBL2073225

SCHEMBL2073225

Cn1nc(CC#N)c(C#N)c1N

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.55
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
LMNA P02545 3/20 0.50
HTT P42858 3/20 0.48
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 3/20 0.42
GAA P10253 2/20 0.40
MAPK1 P28482 2/20 0.35
TSHR P16473 2/20 0.33
PKM P14618 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LRRK2 Q5S007 1/20 0.33
RECQL P46063 2/20 0.32

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
SCHEMBL31194569 0.83 GAA (0.55) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL8694634 0.81 GAA (0.40) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL31194464 0.80 MAPK1 (0.49) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL20552007 0.79 GAA (0.40) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL31194507 0.77 GAA (0.40) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL11543788 0.74 LMNA (0.41) MAPTMEN1KMT2ALMNAHTT
SCHEMBL11698200 0.72 KMT2A (0.41) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL1821874 0.72 TSHR (0.47) MAPTMEN1KMT2ALMNAKDM4E
SCHEMBL31581849 0.72 MAPT (0.39) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL16654250 0.71 DYRK1A (0.37) MAPTMEN1KMT2ALMNAHTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902179-B2 Suppress tumor necrosis factor; Crohn's disease; imflammatory bowel disorders; sepsis; autoimmune disease AJINOMOTO CO., INC. (JP) 2011-03-08 US disclosed
US-20040147546-A1 Suppress tumor necrosis factor; Crohn's disease; imflammatory bowel disorders; sepsis; autoimmune disease AJINOMOTO CO., INC. (JP) 2004-07-29 US disclosed
EP-1396493-A1 HETEROCYCLIC COMPOUNDS Ajinomoto Co., Inc. (JP) 2004-03-10 EP 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-20040147546-A1 Suppress tumor necrosis factor; Crohn's disease; imflammatory bowel disorders; sepsis; autoimmune disease TNF, LITAF, NOD2 MAPT 2891/4885MEN1 520/4885KMT2A 4500/4885

“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.