SCHEMBL18258333

SCHEMBL18258333

CN(C)C1CCN(CCn2nc(-c3ccc(NC(=O)OC(C)(C)C)cc3)c3c(N)ncnc32)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 15/20 1.00
▸ PTK6 Q13882 12/20 1.00
▸ FYN P06241 10/20 1.00
▸ LYN P07948 7/20 1.00
▸ HCK P08631 6/20 1.00
▸ BLK P51451 6/20 1.00
▸ FRK P42685 6/20 1.00
▸ LCK P06239 5/20 1.00
▸ ABL1 P00519 14/20 0.79
▸ YES1 P07947 7/20 0.68
▸ FGR P09769 7/20 0.68
▸ RET P07949 3/20 0.68
▸ KIT P10721 1/20 0.56

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
SCHEMBL18258363 0.91 SRC (0.83) SRCPTK6FYNLYNHCK
SCHEMBL20132570 0.90 SRC (0.82) SRCPTK6FYNLYNHCK
SCHEMBL18258375 0.88 ABL1 (1.00) SRCPTK6FYNLYNHCK
SCHEMBL29381545 0.88 ABL1 (1.00) SRCPTK6FYNLYNHCK
SCHEMBL18258328 0.88 ABL1 (0.91) SRCPTK6FYNLYNHCK
SCHEMBL18258372 0.87 SRC (1.00) SRCPTK6FYNLYNHCK
Fumaric Acid SCHEMBL31543001 0.85 SRC (0.92) SRCPTK6FYNLYNHCK
SCHEMBL26148156 0.84 ABL1 (0.92) SRCPTK6FYNLYNHCK
SCHEMBL26147920 0.82 PTK6 (0.71) SRCPTK6FYNLYNHCK
SCHEMBL26147980 0.82 SRC (0.69) SRCPTK6FYNLYNHCK

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 SRC 3282/4885PTK6 3653/4885FYN 3631/4885
US-10294227-B2 Compounds CBR3, OR10J3, CBR1 SRC 2785/4885PTK6 3395/4885FYN 3231/4885

“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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