Sugi Predict

Sugi Predict / Compounds / SCHEMBL1160113

SCHEMBL1160113

SCHEMBL1160113

C[C@H]1CCCC[C@H]1Nc1c(C#N)cnn2cc([N+](=O)[O-])cc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ JAK1 P23458 9/20 0.35
▸ TYK2 P29597 3/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ JAK3 P52333 8/20 0.33
▸ JAK2 O60674 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ PIK3CD O00329 3/20 0.33
▸ LMNA P02545 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ PIK3CB P42338 1/20 0.32

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
SCHEMBL9898399 1.00 MEN1 (0.35) MEN1KMT2AL3MBTL1JAK1TYK2
SCHEMBL1160384 1.00 MEN1 (0.35) MEN1KMT2AL3MBTL1JAK1TYK2
SCHEMBL1160522 0.86 L3MBTL1 (0.46) MEN1KMT2AL3MBTL1JAK1TYK2
SCHEMBL9920351 0.82 MEN1 (0.35) MEN1KMT2AL3MBTL1JAK1ALDH1A1
SCHEMBL9920324 0.82 MEN1 (0.35) MEN1KMT2AL3MBTL1JAK1ALDH1A1
SCHEMBL9920323 0.82 MEN1 (0.35) MEN1KMT2AL3MBTL1JAK1ALDH1A1
SCHEMBL9923304 0.82 JAK1 (0.36) MEN1KMT2AL3MBTL1JAK1TYK2
SCHEMBL9923050 0.82 JAK1 (0.36) MEN1KMT2AL3MBTL1JAK1TYK2
SCHEMBL9923264 0.82 JAK1 (0.36) MEN1KMT2AL3MBTL1JAK1TYK2
SCHEMBL1160280 0.81 JAK1 (0.49) JAK1TYK2CYP3A4JAK3JAK2

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-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 — — US claimed
US-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 — — US disclosed
EP-2459562-A1 PYRROLO [1, 2-B]PYRIDAZINE DERIVATIVES AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-06 — — EP disclosed
WO-2011014817-A1 PYRROLO [1, 2-B] PYRIDAZINE DERIVATIVES AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-02-03 — — WO disclosed
WO-2011014817-A1 PYRROLO [1, 2-B] PYRIDAZINE DERIVATIVES AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-02-03 — — 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-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors JAK1, JAK2, JAK3 MEN1 888/4885KMT2A 774/4885L3MBTL1 4461/4885

“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.