SCHEMBL20329239

SCHEMBL20329239

COc1cc(-c2ccc(N)cc2-c2nnn[nH]2)ccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.39
LRRK2 Q5S007 2/20 0.38
IDO1 P14902 1/20 0.37
AAK1 Q2M2I8 4/20 0.36
ACVR2A P27037 4/20 0.36
TGFBR2 P37173 4/20 0.36
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
TGFBR1 P36897 2/20 0.35
PKN1 Q16512 1/20 0.35
PKN2 Q16513 1/20 0.35
LOX P28300 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL23916028 0.84 CCNC (0.38) DYRK1ALRRK2PDE3BPDE3A
SCHEMBL20329236 0.83 KCNH2 (0.41) PDE3BPDE3ALOXL2
SCHEMBL23916008 0.81 ADORA2B (0.42) DYRK1AIDO1AAK1LOXL2MAPK13
SCHEMBL23916490 0.81 MTOR (0.37)
SCHEMBL20329401 0.80 KDM4E (0.49)
SCHEMBL20329237 0.80 MAPT (0.44) DYRK1ACYP3A4
SCHEMBL23916421 0.78 KDM4E (0.34)
SCHEMBL23916021 0.78 AAK1 (0.33) AAK1PKN2CYP3A4
SCHEMBL23916460 0.78 PARP15 (0.39) DYRK1ALRRK2IDO1AAK1LOX
SCHEMBL20329240 0.78 KDM4E (0.39)

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-20210317092-A1 TETRAZOLE CONTAINING COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-10-14 US disclosed
WO-2018114783-A1 TETRAZOLE CONTAINING COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-06-28 WO 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-20210317092-A1 TETRAZOLE CONTAINING COMPOUNDS TSLP, IL5, TRPA1 DYRK1A 2200/4885LRRK2 4268/4885IDO1 1706/4885

“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.