SCHEMBL20132636

SCHEMBL20132636

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

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 15/20 0.76
▸ PTK6 Q13882 12/20 0.76
▸ SRC P12931 17/20 0.63
▸ FYN P06241 9/20 0.63
▸ HCK P08631 8/20 0.61
▸ YES1 P07947 6/20 0.61
▸ FGR P09769 6/20 0.61
▸ BLK P51451 6/20 0.61
▸ LYN P07948 6/20 0.61
▸ LCK P06239 5/20 0.61
▸ FRK P42685 6/20 0.58
▸ KIT P10721 1/20 0.58
▸ RET P07949 2/20 0.56
▸ MTOR P42345 2/20 0.56
▸ PIK3CD O00329 1/20 0.47
▸ EGFR P00533 1/20 0.47
▸ KDR P35968 1/20 0.47
▸ PIK3CA P42336 1/20 0.47
▸ PIK3CB P42338 1/20 0.47
▸ PIK3CG P48736 1/20 0.47

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
SCHEMBL18258331 0.86 ABL1 (1.00) ABL1PTK6SRCFYNHCK
SCHEMBL20132619 0.85 ABL1 (0.75) ABL1PTK6SRCFYNHCK
SCHEMBL26148158 0.79 SRC (0.65) ABL1PTK6SRCFYNHCK
SCHEMBL18258375 0.78 ABL1 (1.00) ABL1PTK6SRCFYNHCK
SCHEMBL29381545 0.78 ABL1 (1.00) ABL1PTK6SRCFYNHCK
SCHEMBL26148156 0.78 ABL1 (0.92) ABL1PTK6SRCFYNHCK
SCHEMBL18258329 0.77 SRC (1.00) ABL1PTK6SRCFYNHCK
SCHEMBL18258327 0.77 SRC (0.73) ABL1PTK6SRCFYNHCK
SCHEMBL18258357 0.76 SRC (1.00) ABL1PTK6SRCFYNHCK
SCHEMBL18258332 0.76 SRC (1.00) ABL1PTK6SRCFYNHCK

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 2 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

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