Sugi Predict

Sugi Predict / Compounds / SCHEMBL2677306

SCHEMBL2677306

SCHEMBL2677306

CCOC(=O)n1nc(NC(=O)c2ccc(N(C)CCN(C)C)cc2[N+](=O)[O-])c2c1CCNC2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ LMNA P02545 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ FLT3 P36888 1/20 0.32
▸ MEN1 O00255 3/20 0.31
▸ KMT2A Q03164 3/20 0.31
▸ USP2 O75604 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ UBE2N P61088 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ MTOR P42345 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ TP53 P04637 1/20 0.30

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
Hydrochloric Acid SCHEMBL2677302 0.99 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3ALDH1A1GAA
SCHEMBL4093899 0.92 MAPT (0.37) SLC6A2SLC6A4SLC6A3ALDH1A1GAA
Hydrochloric Acid SCHEMBL2678604 0.91 MAPT (0.37) SLC6A2SLC6A4SLC6A3ALDH1A1GAA
SCHEMBL2678209 0.87 USP7 (0.34) SLC6A2SLC6A4SLC6A3ALDH1A1GAA
Hydrochloric Acid SCHEMBL2678205 0.87 USP7 (0.34) SLC6A2SLC6A4SLC6A3ALDH1A1GAA
SCHEMBL2677539 0.84 MAPT (0.41) ALDH1A1SMN1; SMN2LMNAMAPTMEN1
Hydrochloric Acid SCHEMBL2677535 0.84 MAPT (0.40) ALDH1A1SMN1; SMN2LMNAMAPTMEN1
SCHEMBL1892408 0.83 F12 (0.32) ALDH1A1GAALMNAMAPTMEN1
SCHEMBL2678603 0.83 ALDH1A1 (0.48) ALDH1A1GAASMN1; SMN2LMNAMAPT
Hydrochloric Acid SCHEMBL2678600 0.82 ALDH1A1 (0.47) ALDH1A1GAASMN1; SMN2LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173659-B2 Substituted pyrazolo[4,3-C]pyridine derivatives active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-05-08 — — US disclosed
US-20090023745-A1 Substituted Pyrazolo[4,3-c]Pyridine Derivatives Active as Kinase Inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-01-22 — — US disclosed
EP-1968976-A1 SUBSTITUTED PYRAZOLO [4,3-C] PYRIDINE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.r.l. (IT) 2008-09-17 — — EP disclosed
WO-2007068619-A1 SUBSTITUTED PYRAZOLO [4,3-C] PYRIDINE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2007-06-21 — — 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-20090023745-A1 Substituted Pyrazolo[4,3-c]Pyridine Derivatives Active as Kinase Inhibitors MAP3K3, MAP3K1, MAP3K19 SLC6A2 4857/4885SLC6A4 4547/4885SLC6A3 4484/4885

“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.