SCHEMBL18258374

SCHEMBL18258374

CCOC(Cn1nc(-c2ccc(C)cc2)c2c(N)ncnc21)OCC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.67
PIK3CD O00329 4/20 0.67
PIK3CA P42336 4/20 0.67
PIK3CG P48736 4/20 0.67
PRKDC P78527 3/20 0.67
DDR1 Q08345 1/20 0.67
FYN P06241 12/20 0.66
SRC P12931 9/20 0.63
ABL1 P00519 7/20 0.63
YES1 P07947 6/20 0.63
RET P07949 3/20 0.63
KDM4E B2RXH2 2/20 0.63
CYP1A2 P05177 2/20 0.63
MAPK1 P28482 2/20 0.63
TP53 P04637 1/20 0.63
CYP3A4 P08684 1/20 0.63
FGR P09769 4/20 0.57
LYN P07948 4/20 0.54
EGFR P00533 3/20 0.54
KDR P35968 3/20 0.54

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
SCHEMBL18258369 0.84 MTOR (0.72) MTORPIK3CDPIK3CAPIK3CGPRKDC
SCHEMBL20132634 0.84 MTOR (0.64) MTORPIK3CDPIK3CAPIK3CGPRKDC
SCHEMBL25033269 0.83 MTOR (0.56) MTORPIK3CDPIK3CAPIK3CGPRKDC
SCHEMBL18250088 0.82 PIK3CD (0.65) MTORPIK3CDPIK3CAPIK3CGPRKDC
SCHEMBL22773819 0.81 MTOR (1.00) MTORPIK3CDPIK3CAPIK3CGPRKDC
SCHEMBL18250092 0.81 PIK3CD (0.68) MTORPIK3CDPIK3CAPIK3CGPRKDC
SCHEMBL17726000 0.80 FYN (1.00) MTORPIK3CDPIK3CAPIK3CGPRKDC
SCHEMBL2361494 0.79 KDM4E (0.68) MTORPIK3CDPIK3CAPIK3CGPRKDC
SCHEMBL30877161 0.78 MTOR (0.54) MTORPIK3CDPIK3CAPIK3CGPRKDC
SCHEMBL18250077 0.78 MTOR (0.54) MTORPIK3CDPIK3CAPIK3CGPRKDC

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
CN-107849050-B Compound (I) 爱丁堡大学董事会 2020-10-13 CN disclosed
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.