SCHEMBL6411295

SCHEMBL6411295

OCC(O)CSc1nnc(-c2cccnc2)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.41
BTK Q06187 1/20 0.38
NPY5R Q15761 2/20 0.37
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
KDM4E B2RXH2 3/20 0.36
LDHA P00338 1/20 0.36
EPHX2 P34913 1/20 0.36
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
HPGD P15428 3/20 0.35
LMNA P02545 2/20 0.35
ALDH1A1 P00352 3/20 0.35
CYP2A6 P11509 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL6411228 0.82 NPY5R (0.38) BTKNPY5RKDM4ELDHAEPHX2
SCHEMBL6408132 0.79 HRH1 (0.41) MAPK14KDM4ECSNK2A2CSNK2BCSNK2A1
SCHEMBL6405975 0.76 HRH1 (0.44) KDM4EHPGDALDH1A1CYP1A2CYP3A4
SCHEMBL16907285 0.76 BTK (0.49) BTKNPY5RKDM4ELDHAEPHX2
SCHEMBL6408996 0.74 MAPK14 (0.39) MAPK14KDM4ECSNK2A2CSNK2BCSNK2A1
SCHEMBL6406665 0.74 NPY5R (0.42) BTKNPY5RKDM4ELDHAEPHX2
SCHEMBL6405361 0.72 ALDH1A1 (0.56) KDM4EHPGDLMNAALDH1A1MAPT
SCHEMBL6408987 0.72 MAPT (0.42) MAPK14HPGDLMNAALDH1A1CYP1A2
SCHEMBL6408678 0.71 CYP3A4 (0.40) BTKNPY5RKDM4ELDHAEPHX2
SCHEMBL6408310 0.71 KMT2A (0.52) MKNK1MKNK2KDM4EHPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof AGRIUS GROUP, LLC. 2005-12-29 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-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof ABCG2, ATP5ME, DNTT MAPK14 4461/4885BTK 2660/4885NPY5R 4855/4885

“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.