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Sugi Predict / Compounds / SCHEMBL2458396

SCHEMBL2458396

SCHEMBL2458396

CCOC(=O)n1nc(NC(=O)c2ccc(OCCN(C)C)cc2[N+](=O)[O-])c2c1CCN(S(=O)(=O)c1cc(F)cc(F)c1)C2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.35
▸ LMNA P02545 6/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ HTT P42858 2/20 0.35
▸ MCOLN3 Q8TDD5 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ IGF1R P08069 2/20 0.35
▸ ALDH1A1 P00352 4/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ LSS P48449 1/20 0.34
▸ USP2 O75604 3/20 0.33
▸ TP53 P04637 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ TRPM8 Q7Z2W7 1/20 0.33
▸ TRPV4 Q9HBA0 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33

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
SCHEMBL1885175 0.90 IGF1R (0.38) MAPTLMNAKMT2AMEN1HTT
SCHEMBL1887794 0.90 IGF1R (0.37) MAPTLMNAKMT2AIGF1RALDH1A1
SCHEMBL1887029 0.89 IGF1R (0.36) MAPTLMNAKMT2AMEN1HTT
SCHEMBL2460044 0.88 IGF1R (0.38) MAPTLMNAKMT2AMEN1HTT
SCHEMBL1898473 0.87 IGF1R (0.37) MAPTLMNAKMT2AIGF1RALDH1A1
SCHEMBL1895529 0.86 ALDH1A1 (0.40) MAPTLMNAKMT2AMEN1HTT
SCHEMBL1434230 0.86 INSR (0.37) MAPTLMNAKMT2AIGF1RALDH1A1
SCHEMBL1434235 0.86 INSR (0.37) MAPTLMNAKMT2AIGF1RALDH1A1
SCHEMBL1434285 0.86 INSR (0.37) MAPTLMNAKMT2AIGF1RALDH1A1
SCHEMBL1883184 0.85 IGF1R (0.39) MAPTLMNAKMT2AMEN1HTT

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 3 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

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 MAPT 2600/4885LMNA 3253/4885KMT2A 1468/4885
US-20090023745-A1 Substituted Pyrazolo[4,3-c]Pyridine Derivatives Active as Kinase Inhibitors MAP3K3, MAP3K1, MAP3K19 MAPT 2600/4885LMNA 3253/4885KMT2A 1468/4885

“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.