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Sugi Predict / Compounds / SCHEMBL1891377

SCHEMBL1891377

SCHEMBL1891377

CCOC(=O)n1nc2c(c1NC(=O)c1ccc(N3CCOCC3)cc1[N+](=O)[O-])CN(S(=O)(=O)c1cc(F)cc(F)c1)CC2(C)C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ CREBBP Q92793 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ IGF1R P08069 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL1893236 0.93 IGF1R (0.41) MAPTMAPK1LMNAMEN1KMT2A
SCHEMBL1372416 0.90 ALDH1A1 (0.36) MAPTALDH1A1SMN1; SMN2HSD17B10MAPK1
SCHEMBL1885436 0.87 IGF1R (0.38) MAPTALDH1A1SMN1; SMN2HSD17B10MAPK1
SCHEMBL2458227 0.87 ALDH1A1 (0.39) MAPTALDH1A1SMN1; SMN2HSD17B10MAPK1
SCHEMBL1887052 0.85 L3MBTL1 (0.34) MAPTALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL1371541 0.83 IGF1R (0.38) MAPTALDH1A1MAPK1LMNAIGF1R
SCHEMBL1890200 0.83 IGF1R (0.43) MAPTALDH1A1SMN1; SMN2HSD17B10MAPK1
SCHEMBL1893808 0.83 MAPT (0.38) MAPTALDH1A1SMN1; SMN2MAPK1NPSR1
SCHEMBL1887045 0.83 IGF1R (0.43) NPSR1MEN1KMT2AIGF1RGAA
Hydrochloric Acid SCHEMBL1887042 0.82 IGF1R (0.42) NPSR1MEN1KMT2AIGF1RGAA

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-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-7947686-B2 Substituted pyrazolo[4,3-c]pyridine derivatives active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-05-24 — — 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 2600/4885ALDH1A1 2295/4885SMN1; SMN2 3711/4885
US-20090023745-A1 Substituted Pyrazolo[4,3-c]Pyridine Derivatives Active as Kinase Inhibitors MAP3K3, MAP3K1, MAP3K19 MAPT 2600/4885ALDH1A1 2295/4885SMN1; 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.