Sugi Predict

Sugi Predict / Compounds / SCHEMBL5263146

SCHEMBL5263146

SCHEMBL5263146

COc1cc(F)c2nccc(NC(=O)C3CCC(NC(=O)OC(C)(C)C)CC3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ KDR P35968 9/20 0.41
▸ BRAF P15056 8/20 0.41
▸ TYK2 P29597 1/20 0.40
▸ CDK1 P06493 2/20 0.40
▸ CDK2 P24941 2/20 0.40
▸ CDK9 P50750 2/20 0.40
▸ CDK3 Q00526 2/20 0.40
▸ CDK5 Q00535 2/20 0.40
▸ GSK3B P49841 2/20 0.40
▸ GSK3A P49840 1/20 0.40
▸ CCNT1 O60563 1/20 0.40
▸ CCNB1 P14635 1/20 0.40
▸ CCNE1 P24864 1/20 0.40
▸ CCNA1 P78396 1/20 0.40
▸ CDK5R1 Q15078 1/20 0.40
▸ PIK3CA P42336 1/20 0.38
▸ MTOR P42345 1/20 0.38

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
SCHEMBL4270077 0.86 NTRK1 (0.44) ALDH1A1PIK3CAMTORPRKDC
SCHEMBL5266247 0.84 KCNH2 (0.58) ALDH1A1KCNH2KDRBRAFGSK3B
Ammonia Solution, Strong SCHEMBL6643042 0.84 KCNH2 (0.57) ALDH1A1KCNH2KDRBRAFGSK3B
SCHEMBL5635423 0.79 ALDH1A1 (0.35) ALDH1A1HTTKDRBRAFCDK9
SCHEMBL3576222 0.77 KDM4D (0.46) KCNH2BTKJAK2JAK1
SCHEMBL3576223 0.77 KDM4D (0.46) KCNH2BTKJAK2JAK1
SCHEMBL5636821 0.75 KCNH2 (0.57) KCNH2BRAFJAK2JAK1
SCHEMBL14498791 0.75 KCNH2 (0.76) ALDH1A1HTTKCNH2
SCHEMBL2401052 0.73 GSK3B (0.73) CDK1CDK2CDK9CDK3CDK5
SCHEMBL2401056 0.73 GSK3B (0.73) CDK1CDK2CDK9CDK3CDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1399443-B1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2007-12-12 — — EP disclosed
US-20070135422-A1 Nitrogen-containing bicycle heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. 2007-06-14 — — US disclosed
US-7141564-B2 Nitrogen-containing bicyclic heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2006-11-28 — — US disclosed
US-20040171620-A1 Nitrogen-containing bicyclic heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2004-09-02 — — US disclosed
EP-1399443-A1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2004-03-24 — — EP disclosed
WO-2003087098-A1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM P.L.C. (GB) 2003-10-23 — — 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-20040171620-A1 Nitrogen-containing bicyclic heterocycles for use as antibacterials NRDC, NUCB2, NDC1 ALDH1A1 3787/4885HTT 2139/4885KCNH2 3311/4885
US-20070135422-A1 Nitrogen-containing bicycle heterocycles for use as antibacterials NRDC, NUCB2, NISCH ALDH1A1 3931/4885HTT 2098/4885KCNH2 2699/4885

“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.