SCHEMBL5233182

SCHEMBL5233182

O=C(c1ccncc1)c1ncn2ccsc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.39
ADORA1 P30542 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
LTA4H P09960 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 2/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
NAPRT Q6XQN6 1/20 0.34
CYP2D6 P10635 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ADORA2B P29275 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.31
CYP1A2 P05177 2/20 0.31

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
SCHEMBL6778212 0.87 HPGDS (0.40) ADORA2AADORA1KMT2AMEN1LMNA
SCHEMBL4224350 0.83 ADORA2A (0.43) ADORA2AADORA1KMT2AMEN1GAA
SCHEMBL5232620 0.79 ALDH1A1 (0.43) ADORA2AADORA1KMT2AMEN1LMNA
SCHEMBL6887703 0.76 CHEK1 (0.37) TSHRKDM4EGAASMN1; SMN2ALDH1A1
SCHEMBL6894709 0.71 GSK3B (0.35)
SCHEMBL6893582 0.71 TP53 (0.32)
SCHEMBL1405879 0.71 MAPT (0.35) KMT2ANPSR1L3MBTL1MAPT
SCHEMBL8052951 0.68 ALDH1A1 (0.46) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL6623035 0.67 DDAH1 (0.39) KMT2AMEN1HTT
SCHEMBL725064 0.64 KMT2A (0.80) KMT2AMEN1LTA4HLMNAKDM4E

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-1336612-B1 NOVEL CARBAPENEM DERIVATIVES MEIJI SEIKA KAISHA (JP) 2007-01-17 EP disclosed
US-6908913-B2 Carbapenem derivatives MEIJI SEIKI KAISHA, LTD. (JP) 2005-06-21 US disclosed
US-20040038967-A1 Novel carbapenem derivatives MEIJI SEIKI KAISHA, LTD. (JP) 2004-02-26 US disclosed
EP-1336612-A1 NOVEL CARBAPENEM DERIVATIVES MEIJI SEIKA KAISHA LTD. (JP) 2003-08-20 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-20040038967-A1 Novel carbapenem derivatives DHPS, HAMP, MCRS1 ADORA2A 2676/4885ADORA1 1720/4885KMT2A 1037/4885

“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.