SCHEMBL18258356

SCHEMBL18258356

CN1CCN(CCn2nc(I)c3c(N)ncnc32)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 8/20 0.64
▸ YES1 P07947 6/20 0.64
▸ FGR P09769 6/20 0.64
▸ PIK3CD O00329 1/20 0.53
▸ FYN P06241 6/20 0.51
▸ LYN P07948 3/20 0.51
▸ ABL1 P00519 5/20 0.47
▸ RET P07949 4/20 0.47
▸ LCK P06239 3/20 0.47
▸ FRK P42685 2/20 0.47
▸ DYRK3 O43781 2/20 0.45
▸ CDK1 P06493 2/20 0.45
▸ ROS1 P08922 2/20 0.45
▸ RPS6KB1 P23443 2/20 0.45
▸ CDK2 P24941 2/20 0.45
▸ CSNK1A1 P48729 2/20 0.45
▸ CSNK1D P48730 2/20 0.45
▸ CLK2 P49760 2/20 0.45
▸ IRAK1 P51617 2/20 0.45
▸ CDK5 Q00535 2/20 0.45

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
SCHEMBL4825100 0.92 SRC (0.56) SRCYES1FGRPIK3CDFYN
SCHEMBL25030582 0.83 SRC (0.49) SRCYES1FGRPIK3CDFYN
SCHEMBL18258364 0.83 ABL1 (0.51) SRCYES1FGRPIK3CDFYN
SCHEMBL18250080 0.83 SRC (0.68) SRCYES1FGRPIK3CDFYN
SCHEMBL26148542 0.82 SRC (0.58) SRCYES1FGRPIK3CDFYN
SCHEMBL18258360 0.81 SRC (0.69) SRCYES1FGRPIK3CDFYN
SCHEMBL4823820 0.81 SRC (0.44) SRCYES1FGRPIK3CDFYN
SCHEMBL18258367 0.81 ABL1 (0.49) SRCYES1FGRPIK3CDFYN
SCHEMBL25033277 0.81 SRC (0.47) SRCYES1FGRPIK3CDFYN
SCHEMBL4572201 0.80 RET (0.48) SRCYES1FGRPIK3CDFYN

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 3282/4885YES1 2234/4885FGR 1356/4885
US-10294227-B2 Compounds CBR3, OR10J3, CBR1 SRC 2785/4885YES1 1792/4885FGR 890/4885

“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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