SCHEMBL2369411

SCHEMBL2369411

Clc1ccc(-c2nccc(N3CCOCC3)n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 4/20 0.60
▸ PIK3CD O00329 2/20 0.60
▸ CYP1A2 P05177 5/20 0.55
▸ CYP2C19 P33261 3/20 0.55
▸ CYP3A4 P08684 3/20 0.55
▸ CYP2C9 P11712 2/20 0.55
▸ KDM4E B2RXH2 2/20 0.55
▸ AOC3 Q16853 2/20 0.54
▸ ALDH1A1 P00352 3/20 0.53
▸ HSD17B10 Q99714 3/20 0.53
▸ USP2 O75604 2/20 0.53
▸ CLK4 Q9HAZ1 2/20 0.53
▸ ALOX15 P16050 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ MAPT P10636 1/20 0.52
▸ HTT P42858 1/20 0.50
▸ MTOR P42345 2/20 0.49
▸ SMG1 Q96Q15 1/20 0.49

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
SCHEMBL21914801 0.85 PIK3CA (0.71) PIK3CAPIK3CDCYP1A2CYP2C19CYP3A4
SCHEMBL3727348 0.85 PIK3CA (0.60) PIK3CAPIK3CDCYP1A2CYP2C19CYP3A4
SCHEMBL1110658 0.78 PIK3CA (0.50) PIK3CAPIK3CDCYP1A2CYP2C19ALDH1A1
SCHEMBL2369996 0.77 PIK3CA (0.71) PIK3CAPIK3CDAOC3MTORPIK3CG
SCHEMBL21217061 0.76 EIF2AK4 (0.67) —
SCHEMBL3730124 0.76 PIK3CA (0.77) PIK3CAPIK3CDMAPTMTORPIK3CG
SCHEMBL13298979 0.75 PIK3CA (0.73) PIK3CAPIK3CDCYP1A2CYP2C19CYP3A4
SCHEMBL5172881 0.75 PIK3CA (1.00) PIK3CAPIK3CDHTTMTORPIK3CG
SCHEMBL3721523 0.75 PIK3CA (0.75) PIK3CAPIK3CDMTORPIK3CG
SCHEMBL2369790 0.75 PIK3CA (0.78) PIK3CAPIK3CDMTORPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9249129-B2 Morpholino substituted urea derivatives as mTOR inhibitors CELLZOME LIMITED (GB) 2016-02-02 — — US disclosed
EP-2542536-B1 Morpholino substituted urea derivatives as mtor inhibitors CELLZOME LTD (GB) 2015-01-21 — — EP disclosed
US-20130196982-A1 MORPHOLINO SUBSTITUTED UREA DERIVATIVES AS MTOR INHIBITORS CELLZOME LIMITED (GB) 2013-08-01 — — US disclosed
EP-2542536-A1 MORPHOLINO SUBSTITUTED UREA DERIVATIVES AS MTOR INHIBITORS Cellzome Limited (GB) 2013-01-09 — — EP disclosed
WO-2011107585-A1 MORPHOLINO SUBSTITUTED UREA DERIVATIVES AS MTOR INHIBITORS CELLZOME LIMITED (GB) 2011-09-09 — — 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-20130196982-A1 MORPHOLINO SUBSTITUTED UREA DERIVATIVES AS MTOR INHIBITORS MTOR, EIF4E, EIF4A1 PIK3CA 347/4885PIK3CD 562/4885CYP1A2 3038/4885

“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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