SCHEMBL11900783

SCHEMBL11900783

N/N=C(\c1cccc(O)c1)c1cc(N2CCOCC2)nc(N2CCOCC2)n1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 14/20 0.57
▸ MTOR P42345 3/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ SENP7 Q9BQF6 2/20 0.51
▸ SENP6 Q9GZR1 2/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ KMT2A Q03164 3/20 0.46
▸ PIK3CB P42338 3/20 0.46
▸ PIK3CG P48736 3/20 0.46
▸ PIK3CD O00329 1/20 0.46
▸ MEN1 O00255 1/20 0.44
▸ APAF1 O14727 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ PAX8 Q06710 1/20 0.44

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
SCHEMBL11900791 1.00 PIK3CA (0.57) PIK3CAMTORKDM4ELMNAMAPT
SCHEMBL1444102 0.82 GAA (0.53) PIK3CAMTORKDM4ELMNAMAPT
SCHEMBL1444110 0.82 GAA (0.53) PIK3CAMTORKDM4ELMNAMAPT
SCHEMBL1443116 0.81 PIK3CA (0.46) PIK3CAMTORKDM4ELMNAMAPT
SCHEMBL1443109 0.81 PIK3CA (0.46) PIK3CAMTORKDM4ELMNAMAPT
SCHEMBL1822331 0.72 PIK3CA (1.00) PIK3CAMTORPIK3CBPIK3CG
SCHEMBL302528 0.70 MAPT (0.39) PIK3CAKDM4ELMNAMAPTALDH1A1
SCHEMBL1444466 0.70 GAA (0.54) PIK3CAKDM4ELMNAMAPTSENP7
SCHEMBL1444477 0.70 GAA (0.54) PIK3CAKDM4ELMNAMAPTSENP7
SCHEMBL6651425 0.70 POLB (0.64) PIK3CAMTORKDM4ELMNAALDH1A1

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-20120202806-A1 Novel Pyrimidine- And Triazine-Hepcidine Antagonists VIFOR (INTERNATIONAL) AG (CH) 2012-08-09 — — 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-20120202806-A1 Novel Pyrimidine- And Triazine-Hepcidine Antagonists HAMP, DHPS, SLC40A1 PIK3CA 3070/4885MTOR 2040/4885KDM4E 3527/4885

“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.

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