SCHEMBL2679340

SCHEMBL2679340

CCOC(=O)n1nc(NC(=O)c2ccc(N3CCOCC3)cc2[N+](=O)[O-])c2c1CCNC2

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.41
ALDH1A1 P00352 9/20 0.39
NPC1 O15118 1/20 0.37
PKM P14618 1/20 0.37
MAPK1 P28482 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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 SCHEMBL2679338 0.99 MAPT (0.40) MAPTALDH1A1NPC1PKMMAPK1
SCHEMBL1886632 0.92 SIRT6 (0.42) MAPTALDH1A1MAPK1LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL1886629 0.91 SIRT6 (0.41) MAPTALDH1A1MAPK1LMNASMN1; SMN2
Trifluoroacetic Acid SCHEMBL2679044 0.86 MAPT (0.35) MAPTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL2677539 0.84 MAPT (0.41) MAPTALDH1A1NPC1PKMMAPK1
SCHEMBL1891508 0.84 MTOR (0.40) MAPTALDH1A1NPC1MAPK1MEN1
SCHEMBL4093899 0.84 MAPT (0.37) MAPTALDH1A1NPC1MAPK1MEN1
Hydrochloric Acid SCHEMBL2677535 0.84 MAPT (0.40) MAPTALDH1A1NPC1PKMMAPK1
SCHEMBL2678603 0.83 ALDH1A1 (0.48) MAPTALDH1A1MAPK1CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL2678604 0.83 MAPT (0.37) MAPTALDH1A1NPC1MAPK1MEN1

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 MAPT 2600/4885ALDH1A1 2295/4885NPC1 3499/4885

“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.