SCHEMBL3208642

SCHEMBL3208642

COc1cc(C(N)=O)ccc1-c1cnco1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 10/20 0.64
IMPDH1 P20839 3/20 0.64
AAK1 Q2M2I8 9/20 0.59
MKNK1 Q9BUB5 1/20 0.59
MKNK2 Q9HBH9 1/20 0.59

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
SCHEMBL14518597 0.88 IMPDH2 (0.65) IMPDH2IMPDH1AAK1
SCHEMBL15741823 0.86 IMPDH2 (0.63) IMPDH2IMPDH1AAK1
SCHEMBL5531405 0.81 AAK1 (0.75) IMPDH2IMPDH1AAK1
SCHEMBL4886184 0.79 IMPDH2 (0.47) IMPDH2IMPDH1AAK1MKNK1MKNK2
SCHEMBL6180479 0.79 AAK1 (0.65) IMPDH2IMPDH1AAK1
SCHEMBL1616817 0.79 AAK1 (0.61) IMPDH2IMPDH1AAK1
SCHEMBL30298739 0.79 IMPDH2 (1.00) IMPDH2IMPDH1AAK1
SCHEMBL6639753 0.79 IMPDH2 (1.00) IMPDH2IMPDH1AAK1
SCHEMBL1353846 0.79 IMPDH2 (1.00) IMPDH2IMPDH1AAK1
SCHEMBL6170243 0.78 IMPDH2 (0.73) IMPDH2IMPDH1AAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US disclosed
US-20070004701-A1 Topoisomerase inhibitors PROPHARMACON, INC. (US) 2007-01-04 US disclosed
WO-2006022955-A2 TOPOISOMERASE INHIBITORS PROPHARMACON, INC. (US) 2006-03-02 WO disclosed
WO-2005014554-A1 1H-INDAZOLE-3-CARBOXAMIDE COMPOUNDS AS MAPKAP KINASE MODULATORS ASTEX THERAPEUTICS LIMITED (GB) 2005-02-17 WO disclosed
WO-2003087071-A1 SULFONAMIDE DERIVATIVES CELLTECH R & D LIMITED (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 (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-20070004701-A1 Topoisomerase inhibitors TOP1, TOP2A, TOP2B IMPDH2 614/4885IMPDH1 527/4885AAK1 3497/4885

“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.