SCHEMBL3490877

SCHEMBL3490877

NNC(=O)c1ccc2[nH]nnc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD40 P25942 1/20 0.43
CD40LG P29965 1/20 0.43
ALDH1A1 P00352 9/20 0.43
KDM4E B2RXH2 7/20 0.43
MAPT P10636 5/20 0.43
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP3A4 P08684 3/20 0.42
MPO P05164 2/20 0.42
BLM P54132 2/20 0.42
KDM5A P29375 1/20 0.42
GFER P55789 1/20 0.42
PMP22 Q01453 1/20 0.42
HIF1A Q16665 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
OGG1 O15527 1/20 0.41
ADORA3 P0DMS8 1/20 0.41

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
SCHEMBL2705734 0.86 ALDH1A1 (0.45) CD40CD40LGALDH1A1KDM4EMAPT
SCHEMBL7537324 0.85 HDAC6 (0.50) CD40CD40LG
SCHEMBL7987999 0.83 ALDH1A1 (0.43) CD40CD40LGALDH1A1KDM4EMAPT
SCHEMBL6223758 0.83 CD40 (0.39) CD40CD40LGALDH1A1KDM4EMAPT
SCHEMBL10584547 0.82 FLT3 (0.51) KDM4E
SCHEMBL446291 0.81 MMP2 (0.42) CD40CD40LGCYP1A2MAPK1
SCHEMBL13753754 0.81 ALDH1A1 (0.56) ALDH1A1KDM4ESMN1; SMN2L3MBTL1GAA
Hydrochloric Acid SCHEMBL8692390 0.81 CD40 (0.40) CD40CD40LGJAK2JAK1
SCHEMBL22099898 0.80 MAPT (0.53) CD40CD40LGMAPTLMNAPOLB
SCHEMBL7978406 0.80 B3GNT2 (0.44) CD40CD40LGALDH1A1KDM4EMAPT

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
EP-4025211-A1 METHODS OF TREATING EPILEPSY USING THE SAME Trevena, Inc. (US) 2022-07-13 EP disclosed
WO-2021046183-A1 METHODS OF TREATING EPILEPSY USING THE SAME TREVENA, INC. (US) 2021-03-11 WO disclosed
US-8492378-B2 GSK-3β inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-23 US disclosed
US-20100069381-A1 GSK-3BETAINHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-18 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 (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-20100069381-A1 GSK-3BETAINHIBITOR GSK3B, GSK3A, GSKIP CD40 4229/4885CD40LG 4467/4885ALDH1A1 1473/4885

“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.