SCHEMBL18258360

SCHEMBL18258360

CN(C)CC1CCN(CCn2nc(I)c3c(N)ncnc32)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 16/20 0.69
▸ FYN P06241 8/20 0.69
▸ ABL1 P00519 8/20 0.69
▸ YES1 P07947 7/20 0.69
▸ FGR P09769 7/20 0.69
▸ FRK P42685 6/20 0.59
▸ LYN P07948 5/20 0.59
▸ RET P07949 5/20 0.59
▸ LCK P06239 5/20 0.59
▸ BLK P51451 5/20 0.59
▸ HCK P08631 3/20 0.59
▸ MTOR P42345 1/20 0.59
▸ PTK6 Q13882 4/20 0.51
▸ CDC7 O00311 1/20 0.44
▸ PLK4 O00444 1/20 0.44
▸ DYRK3 O43781 1/20 0.44
▸ JAK2 O60674 1/20 0.44
▸ PRKD3 O94806 1/20 0.44
▸ MAP4K4 O95819 1/20 0.44
▸ NTRK1 P04629 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
SCHEMBL18250080 0.87 SRC (0.68) SRCFYNABL1YES1FGR
SCHEMBL26148542 0.86 SRC (0.58) SRCFYNABL1YES1FGR
SCHEMBL18258364 0.82 ABL1 (0.51) SRCFYNABL1YES1FGR
SCHEMBL25030582 0.82 SRC (0.49) SRCFYNABL1YES1FGR
SCHEMBL18258329 0.82 SRC (1.00) SRCFYNABL1YES1FGR
SCHEMBL18258356 0.81 SRC (0.64) SRCFYNABL1YES1FGR
SCHEMBL18258367 0.80 ABL1 (0.49) SRCFYNABL1YES1FGR
SCHEMBL25033277 0.80 SRC (0.47) SRCFYNABL1YES1FGR
SCHEMBL18258355 0.80 SRC (0.62) SRCFYNABL1YES1FGR
SCHEMBL20132620 0.80 SRC (0.75) SRCFYNABL1YES1FGR

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 3282/4885FYN 3631/4885ABL1 269/4885
US-10294227-B2 Compounds CBR3, OR10J3, CBR1 SRC 2785/4885FYN 3231/4885ABL1 204/4885

“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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