SCHEMBL18258327

SCHEMBL18258327

CN(C)CC1CCN(CCn2nc(-c3cccc(O)c3)c3c(N)ncnc32)CC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 16/20 0.73
▸ ABL1 P00519 12/20 0.73
▸ YES1 P07947 9/20 0.73
▸ FGR P09769 9/20 0.73
▸ FYN P06241 9/20 0.73
▸ LYN P07948 6/20 0.65
▸ HCK P08631 6/20 0.65
▸ FRK P42685 5/20 0.65
▸ LCK P06239 5/20 0.65
▸ BLK P51451 5/20 0.65
▸ RET P07949 3/20 0.65
▸ MTOR P42345 2/20 0.65
▸ PTK6 Q13882 7/20 0.61
▸ KIT P10721 1/20 0.51
▸ PIK3CD O00329 2/20 0.51
▸ PIK3CG P48736 2/20 0.51
▸ EGFR P00533 1/20 0.51
▸ KDR P35968 1/20 0.51
▸ PIK3CA P42336 1/20 0.51
▸ PIK3CB P42338 1/20 0.51

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
SCHEMBL18258329 0.84 SRC (1.00) SRCABL1YES1FGRFYN
SCHEMBL20132619 0.83 ABL1 (0.75) SRCABL1YES1FGRFYN
SCHEMBL18258368 0.83 SRC (0.71) SRCABL1YES1FGRFYN
SCHEMBL20132620 0.82 SRC (0.75) SRCABL1YES1FGRFYN
SCHEMBL18250075 0.79 ABL1 (1.00) SRCABL1YES1FGRFYN
SCHEMBL18258360 0.78 SRC (0.69) SRCABL1YES1FGRFYN
SCHEMBL14086588 0.77 PIK3CD (0.62) SRCABL1HCKMTORPIK3CD
SCHEMBL18258331 0.77 ABL1 (1.00) SRCABL1YES1FGRFYN
SCHEMBL20132636 0.77 ABL1 (0.76) SRCABL1YES1FGRFYN
SCHEMBL12551793 0.76 PIK3CD (0.61) SRCABL1HCKRETMTOR

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 SRC 3282/4885ABL1 269/4885YES1 2234/4885
US-10294227-B2 Compounds CBR3, OR10J3, CBR1 SRC 2785/4885ABL1 204/4885YES1 1792/4885

“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.

Send feedback