Sugi Predict

Sugi Predict / Compounds / SCHEMBL4913069

SCHEMBL4913069

SCHEMBL4913069

COc1cc2c(=O)n(CCN(C)C)c3c4cc([N+](=O)[O-])ccc4ncc3c2cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 4/20 0.55
▸ JAK1 P23458 4/20 0.55
▸ TYK2 P29597 4/20 0.55
▸ JAK3 P52333 4/20 0.55
▸ TDP1 Q9NUW8 7/20 0.55
▸ MAPT P10636 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ ABCC1 P33527 2/20 0.42
▸ ABCB1 P08183 1/20 0.42
▸ TDP2 O95551 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ BRD4 O60885 1/20 0.39
▸ NUAK1 O60285 1/20 0.39
▸ NTRK1 P04629 1/20 0.39
▸ FLT3 P36888 1/20 0.39
▸ NUAK2 Q9H093 1/20 0.39
▸ BMP2K Q9NSY1 1/20 0.39

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
SCHEMBL4910476 0.93 TDP1 (0.58) JAK2JAK1TYK2JAK3TDP1
SCHEMBL4910308 0.85 TDP1 (0.50) JAK2JAK1TYK2JAK3TDP1
SCHEMBL4916047 0.84 TDP1 (0.59) JAK2JAK1TYK2JAK3TDP1
SCHEMBL3087113 0.83 TDP1 (0.64) JAK2JAK1TYK2JAK3TDP1
SCHEMBL4906853 0.81 TDP1 (0.51) JAK2JAK1TYK2JAK3TDP1
SCHEMBL4913737 0.81 TDP1 (0.55) JAK2JAK1TYK2JAK3TDP1
SCHEMBL10083819 0.80 TDP1 (0.58) JAK2JAK1TYK2JAK3TDP1
SCHEMBL5875739 0.79 JAK2 (0.57) JAK2JAK1TYK2JAK3TDP1
SCHEMBL5875889 0.79 JAK2 (0.53) JAK2JAK1TYK2JAK3TDP1
SCHEMBL4911679 0.79 TDP1 (0.62) JAK2JAK1TYK2JAK3TDP1

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-20080045538-A1 Nitro and amino substituted topoisomerase agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2008-02-21 — — US disclosed
US-20080045538-A1 Nitro and amino substituted topoisomerase agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2008-02-21 — — US disclosed
US-20080045538-A1 Nitro and amino substituted topoisomerase agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2008-02-21 — — US disclosed
US-6992089-B2 Nitro and amino substituted topoisomerase agents RUTGERS, THE UNIVERSITY OF NEW JERSEY (US) 2006-01-31 — — US disclosed
US-20040102443-A1 Nitro and amino substituted topoisomerase agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2004-05-27 — — 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 (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-20080045538-A1 Nitro and amino substituted topoisomerase agents TOP1, TOP2A, TOP2B JAK2 2554/4885JAK1 2453/4885TYK2 2435/4885
US-20040102443-A1 Nitro and amino substituted topoisomerase agents TOP1, TOP2A, TOP2B JAK2 2690/4885JAK1 1162/4885TYK2 2597/4885

“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.