SCHEMBL1890184

SCHEMBL1890184

O=C(O)c1ccc(CN2CCCC2)cc1[N+](=O)[O-]

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.53
MAPT P10636 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
MAPK1 P28482 3/20 0.52
NPSR1 Q6W5P4 2/20 0.52
KDM4E B2RXH2 5/20 0.51
ALDH1A1 P00352 5/20 0.51
POLB P06746 3/20 0.51
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
HIF1A Q16665 1/20 0.49
RXRA P19793 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HTT P42858 2/20 0.45

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 SCHEMBL1884847 0.99 L3MBTL1 (0.52) L3MBTL1MAPTTDP1MAPK1NPSR1
SCHEMBL28784218 0.99 L3MBTL1 (0.54) L3MBTL1MAPTTDP1MAPK1NPSR1
Hydrochloric Acid SCHEMBL3513321 0.99 L3MBTL1 (0.52) L3MBTL1MAPTTDP1MAPK1NPSR1
Hydrochloric Acid SCHEMBL3510778 0.97 L3MBTL1 (0.53) L3MBTL1MAPTTDP1MAPK1NPSR1
Hydrochloric Acid SCHEMBL3510824 0.96 KDM4E (0.50) L3MBTL1MAPTTDP1MAPK1NPSR1
SCHEMBL13163914 0.89 L3MBTL1 (0.50) L3MBTL1MAPTTDP1MAPK1NPSR1
SCHEMBL7299795 0.88 ALDH1A1 (0.56) MAPTKDM4EALDH1A1POLBSMN1; SMN2
SCHEMBL7404959 0.88 SMN1; SMN2 (0.56) L3MBTL1MAPTTDP1MAPK1NPSR1
Hydrochloric Acid SCHEMBL3511617 0.87 ALDH1A1 (0.54) MAPTKDM4EALDH1A1POLBSMN1; SMN2
Hydrochloric Acid SCHEMBL1884846 0.86 L3MBTL1 (0.54) L3MBTL1MAPTTDP1MAPK1NPSR1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103923072-B As the substituted indazole derivative with kinase inhibitory activity 内尔维阿诺医学科学有限公司 2017-05-31 CN disclosed
CN-103923072-A Substituted Indazole Derivatives Active As Kinase Inhibitors NERVIANO MEDICAL SCIENCES SRL 2014-07-16 CN disclosed
CN-101754956-B Substituted indazole derivatives active as kinase inhibitors NERVIANO MEDICAL SCIENCES SRL 2014-04-23 CN disclosed
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
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 L3MBTL1 3525/4885MAPT 2600/4885TDP1 1654/4885
US-20090023745-A1 Substituted Pyrazolo[4,3-c]Pyridine Derivatives Active as Kinase Inhibitors MAP3K3, MAP3K1, MAP3K19 L3MBTL1 3525/4885MAPT 2600/4885TDP1 1654/4885

“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.