Sugi Predict

Sugi Predict / Compounds / SCHEMBL2454525

SCHEMBL2454525

SCHEMBL2454525

CCOC(=O)n1nc(NC(=O)c2ccccc2[N+](=O)[O-])c2c1CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.44
▸ GAA P10253 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ TP53 P04637 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ P2RX3 P56373 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ POLB P06746 1/20 0.38
▸ F12 P00748 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ C5AR1 P21730 1/20 0.37

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
SCHEMBL1890828 0.88 AKR1B10 (0.40) ALDH1A1TP53LMNARAB9AKMT2A
SCHEMBL1890661 0.88 MAPT (0.35) ALDH1A1GAATP53THRBP2RX3
SCHEMBL1894646 0.87 MAPT (0.37) ALDH1A1SMN1; SMN2P2RX3HDAC1HDAC6
SCHEMBL1890065 0.86 SIRT6 (0.40) ALDH1A1SMN1; SMN2LMNAL3MBTL1POLB
SCHEMBL2677432 0.85 F12 (0.45) ALDH1A1GAASMN1; SMN2TP53THRB
SCHEMBL1891508 0.85 MTOR (0.40) ALDH1A1LMNANPSR1KMT2AMEN1
SCHEMBL1892408 0.84 F12 (0.32) ALDH1A1GAATP53THRBP2RX3
SCHEMBL1898452 0.84 TP53 (0.34) GAATP53P2RX3F12MAPT
SCHEMBL1891444 0.83 GPR119 (0.36) TP53F12
SCHEMBL1895334 0.83 MAPT (0.39) ALDH1A1GAASMN1; SMN2LMNAKMT2A

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-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-20110230470-A1 SUBSTITUTED PYRAZOLO[4,3-C]PYRIDINE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-09-22 — — 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 (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-20110230470-A1 SUBSTITUTED PYRAZOLO[4,3-C]PYRIDINE DERIVATIVES ACTIVE AS KINASE INHIBITORS MAP3K3, MAP3K1, MAP3K19 ALDH1A1 2295/4885GAA 1656/4885SMN1; SMN2 3711/4885
US-20090023745-A1 Substituted Pyrazolo[4,3-c]Pyridine Derivatives Active as Kinase Inhibitors MAP3K3, MAP3K1, MAP3K19 ALDH1A1 2295/4885GAA 1656/4885SMN1; SMN2 3711/4885

“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.