SCHEMBL6110209

SCHEMBL6110209

CS(=O)(=O)O[C@H]1CC[C@@H](n2nc(I)c3c(N)ncnc32)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 6/20 0.67
▸ RET P07949 3/20 0.67
▸ KDR P35968 3/20 0.67
▸ JAK2 O60674 2/20 0.67
▸ DYRK3 O43781 2/20 0.67
▸ CDK1 P06493 2/20 0.67
▸ ROS1 P08922 2/20 0.67
▸ RPS6KB1 P23443 2/20 0.67
▸ CDK2 P24941 2/20 0.67
▸ CSNK1A1 P48729 2/20 0.67
▸ CSNK1D P48730 2/20 0.67
▸ CLK2 P49760 2/20 0.67
▸ IRAK1 P51617 2/20 0.67
▸ CDK5 Q00535 2/20 0.67
▸ DYRK1A Q13627 2/20 0.67
▸ NTRK3 Q16288 2/20 0.67
▸ SLK Q9H2G2 2/20 0.67
▸ CLK4 Q9HAZ1 2/20 0.67
▸ CDC7 O00311 1/20 0.67
▸ PLK4 O00444 1/20 0.67

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
SCHEMBL3817960 1.00 SRC (0.67) SRCRETKDRJAK2DYRK3
SCHEMBL20533262 0.84 SRC (0.70) SRCRETKDRJAK2DYRK3
SCHEMBL24096480 0.84 JAK2 (0.86) SRCRETKDRJAK2DYRK3
SCHEMBL29999054 0.84 JAK2 (0.86) SRCRETKDRJAK2DYRK3
SCHEMBL12422269 0.81 RET (0.62) SRCRETKDRJAK2DYRK3
SCHEMBL16594675 0.81 JAK2 (0.68) SRCRETKDRJAK2DYRK3
SCHEMBL6109045 0.80 KDR (1.00) SRCRETKDRJAK2DYRK3
SCHEMBL6109435 0.80 KDR (1.00) SRCRETKDRJAK2DYRK3
SCHEMBL18539078 0.80 SRC (0.76) SRCRETKDRJAK2DYRK3
Bicarbonate SCHEMBL27088025 0.80 RET (0.80) SRCRETKDRJAK2DYRK3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060025383-A1 Aminobenzoxazoles as therapeutic agents ABBOTT LABORATORIES 2006-02-02 — — 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 (1 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-20060025383-A1 Aminobenzoxazoles as therapeutic agents ABL1, MAP3K19, MAP3K20 SRC 116/4885RET 848/4885KDR 2441/4885

“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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