SCHEMBL18258330

SCHEMBL18258330

COc1cc(-c2nn(CCN3CCC(N(C)C)CC3)c3ncnc(N)c23)ccc1NCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 16/20 1.00
▸ ABL1 P00519 14/20 1.00
▸ PTK6 Q13882 12/20 1.00
▸ FRK P42685 6/20 1.00
▸ KIT P10721 1/20 1.00
▸ FYN P06241 9/20 0.69
▸ LCK P06239 7/20 0.69
▸ HCK P08631 6/20 0.69
▸ LYN P07948 6/20 0.69
▸ BLK P51451 6/20 0.69
▸ YES1 P07947 6/20 0.69
▸ FGR P09769 6/20 0.69
▸ TEK Q02763 2/20 0.63
▸ RET P07949 3/20 0.62

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
SCHEMBL18258373 0.88 SRC (0.80) SRCABL1PTK6FRKKIT
SCHEMBL20132572 0.87 SRC (0.78) SRCABL1PTK6FRKKIT
SCHEMBL20132684 0.86 SRC (0.75) SRCABL1PTK6FRKKIT
SCHEMBL26148157 0.82 ABL1 (0.83) SRCABL1PTK6FRKKIT
SCHEMBL18258375 0.82 ABL1 (1.00) SRCABL1PTK6FRKKIT
SCHEMBL18258332 0.82 SRC (1.00) SRCABL1PTK6FRKKIT
SCHEMBL18258357 0.82 SRC (1.00) SRCABL1PTK6FRKKIT
SCHEMBL29381545 0.82 ABL1 (1.00) SRCABL1PTK6FRKKIT
SCHEMBL26148154 0.81 ABL1 (0.81) SRCABL1PTK6FRKKIT
SCHEMBL26148618 0.81 ABL1 (0.81) SRCABL1PTK6FRKKIT

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

“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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