SCHEMBL2677503

SCHEMBL2677503

CCOC(=O)n1nc2c(c1NC(=O)c1ccc(N(C)C)cc1[N+](=O)[O-])CNCC2(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.36
LMNA P02545 3/20 0.36
NPSR1 Q6W5P4 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MCL1 Q07820 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
POLB P06746 1/20 0.33
PTGS2 P35354 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
KDM4E B2RXH2 1/20 0.32
BACE1 P56817 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32

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 SCHEMBL2677500 0.99 MAPT (0.36) MAPTLMNANPSR1SMN1; SMN2NPC1
SCHEMBL4286497 0.90 MAPT (0.38) MAPTLMNANPSR1SMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL4286492 0.89 MAPT (0.37) MAPTLMNANPSR1SMN1; SMN2NPC1
SCHEMBL2677894 0.87 ALDH1A1 (0.46) MAPTLMNANPSR1SMN1; SMN2RAB9A
Hydrochloric Acid SCHEMBL2677890 0.86 ALDH1A1 (0.46) MAPTLMNANPSR1SMN1; SMN2RAB9A
SCHEMBL2678984 0.85 SIRT6 (0.41) MAPTLMNASMN1; SMN2ALDH1A1POLB
SCHEMBL2678711 0.85 L3MBTL1 (0.36) MAPTLMNANPSR1SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL2678708 0.84 L3MBTL1 (0.35) MAPTLMNANPSR1SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL2678981 0.84 SIRT6 (0.40) MAPTLMNASMN1; SMN2ALDH1A1POLB
SCHEMBL2679062 0.84 MAPT (0.40) MAPTLMNASMN1; SMN2NPC1ALDH1A1

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 2600/4885LMNA 3253/4885NPSR1 4360/4885

“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.