SCHEMBL6501033

SCHEMBL6501033

C=C(O)c1ccnc(C)n1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.39
SORT1 Q99523 4/20 0.33
KDM4E B2RXH2 3/20 0.33
LMNA P02545 1/20 0.33
KDM5A P29375 1/20 0.32
JMJD1C Q15652 1/20 0.32
KDM3A Q9Y4C1 1/20 0.32
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
PIK3C3 Q8NEB9 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL4745019 0.78 GRM4 (0.39) GRM4SORT1KDM4ELMNAKDM5A
SCHEMBL1578942 0.78 KDM4E (0.53) GRM4SORT1KDM4ELMNAKDM5A
SCHEMBL27801110 0.77 KDM4E (0.52) GRM4SORT1KDM4ELMNAKDM5A
Ammonia Solution, Strong SCHEMBL27766041 0.77 KDM4E (0.52) GRM4SORT1KDM4ELMNAKDM5A
Potassium SCHEMBL6986956 0.77 GRM4 (0.38) GRM4SORT1KDM4ELMNAKDM5A
SCHEMBL24271083 0.76 GRM4 (0.32) GRM4KDM4ELMNA
SCHEMBL24271104 0.75 KDM4E (0.33) GRM4KDM4ELMNA
SCHEMBL30625833 0.75 CYP1A2 (0.37) GRM4KDM4ELMNAALDH1A1PIK3C3
SCHEMBL882664 0.74 ALDH1A1 (0.47) GRM4SORT1KDM4ELMNAKDM5A
SCHEMBL13060099 0.74 KMT2A (0.39) KDM4ELMNAALDH1A1POLBALOX15

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-20050080113-A1 Medicinal compositions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-14 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-20050080113-A1 Medicinal compositions TNF, TRAF6, MMP8 GRM4 1480/4885SORT1 3162/4885KDM4E 4034/4885

“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.