SCHEMBL18258351

SCHEMBL18258351

COc1cc(-c2nn(CCN3CCC(OC)CC3)c3ncnc(N)c23)ccc1NC(=O)OC(C)(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 12/20 1.00
▸ ABL1 P00519 11/20 1.00
▸ SRC P12931 13/20 0.85
▸ FYN P06241 5/20 0.84
▸ HCK P08631 6/20 0.68
▸ LCK P06239 6/20 0.68
▸ BLK P51451 5/20 0.68
▸ LYN P07948 4/20 0.68
▸ YES1 P07947 2/20 0.68
▸ FGR P09769 2/20 0.68
▸ FRK P42685 4/20 0.65
▸ KDR P35968 3/20 0.65
▸ PIK3CD O00329 1/20 0.65
▸ EGFR P00533 1/20 0.65
▸ PIK3CA P42336 1/20 0.65
▸ PIK3CG P48736 1/20 0.65
▸ BACE1 P56817 1/20 0.65
▸ PRKDC P78527 1/20 0.65
▸ PI4KB Q9UBF8 1/20 0.65
▸ KIT P10721 1/20 0.57

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
SCHEMBL30183417 0.92 ABL1 (0.85) PTK6ABL1SRCFYNHCK
SCHEMBL25030590 0.92 ABL1 (0.85) PTK6ABL1SRCFYNHCK
SCHEMBL18258375 0.91 ABL1 (1.00) PTK6ABL1SRCFYNHCK
SCHEMBL26148156 0.91 ABL1 (0.92) PTK6ABL1SRCFYNHCK
SCHEMBL29381545 0.91 ABL1 (1.00) PTK6ABL1SRCFYNHCK
SCHEMBL20132566 0.91 ABL1 (1.00) PTK6ABL1SRCFYNHCK
SCHEMBL18258365 0.90 SRC (1.00) PTK6ABL1SRCFYNHCK
SCHEMBL30877138 0.90 ABL1 (0.82) PTK6ABL1SRCFYNHCK
SCHEMBL25030550 0.90 ABL1 (0.82) PTK6ABL1SRCFYNHCK
SCHEMBL18258331 0.90 ABL1 (1.00) PTK6ABL1SRCFYNHCK

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 PTK6 3653/4885ABL1 269/4885SRC 3282/4885
US-10294227-B2 Compounds CBR3, OR10J3, CBR1 PTK6 3395/4885ABL1 204/4885SRC 2785/4885

“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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