SCHEMBL18258369

SCHEMBL18258369

CCOC(Cn1nc(-c2ccc(OC)c(OC)c2)c2c(N)ncnc21)OCC

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 18/20 0.72
▸ PIK3CD O00329 17/20 0.72
▸ PIK3CA P42336 17/20 0.72
▸ PIK3CG P48736 17/20 0.72
▸ ABL1 P00519 17/20 0.72
▸ SRC P12931 17/20 0.72
▸ PRKDC P78527 16/20 0.72
▸ PIK3CB P42338 16/20 0.72
▸ EGFR P00533 15/20 0.72
▸ HCK P08631 15/20 0.72
▸ EPHB4 P54760 15/20 0.72
▸ KDR P35968 14/20 0.72
▸ PI4KB Q9UBF8 13/20 0.72
▸ DDR1 Q08345 1/20 0.67
▸ FYN P06241 1/20 0.61
▸ YES1 P07947 1/20 0.61
▸ RET P07949 1/20 0.61
▸ FGFR1 P11362 1/20 0.52
▸ FGFR2 P21802 1/20 0.52
▸ FGFR3 P22607 1/20 0.52

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
SCHEMBL18258374 0.84 MTOR (0.67) MTORPIK3CDPIK3CAPIK3CGABL1
SCHEMBL18250088 0.82 PIK3CD (0.65) MTORPIK3CDPIK3CAPIK3CGABL1
SCHEMBL18250092 0.81 PIK3CD (0.68) MTORPIK3CDPIK3CAPIK3CGABL1
SCHEMBL22773819 0.81 MTOR (1.00) MTORPIK3CDPIK3CAPIK3CGABL1
SCHEMBL30387348 0.80 ABL1 (1.00) MTORPIK3CDPIK3CAPIK3CGABL1
SCHEMBL28805803 0.80 ABL1 (1.00) MTORPIK3CDPIK3CAPIK3CGABL1
SCHEMBL20132634 0.79 MTOR (0.64) MTORPIK3CDPIK3CAPIK3CGABL1
SCHEMBL31071255 0.78 EGFR (0.71) EGFR
SCHEMBL234181 0.78 SRC (0.80) MTORPIK3CDPIK3CAPIK3CGABL1
SCHEMBL23917199 0.78 PIK3CD (0.75) MTORPIK3CDPIK3CAPIK3CGABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10294227-B2 Compounds UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2019-05-21 — — US disclosed
US-20180127422-A1 COMPOUNDS UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2018-05-10 — — US disclosed
WO-2016185160-A1 COMPOUNDS THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2016-11-24 — — 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 (2 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-20180127422-A1 COMPOUNDS CBR3, OR10J3, CBR1 MTOR 3566/4885PIK3CD 3678/4885PIK3CA 3330/4885
US-10294227-B2 Compounds CBR3, OR10J3, CBR1 MTOR 3399/4885PIK3CD 3699/4885PIK3CA 3238/4885

“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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