SCHEMBL589760

SCHEMBL589760

CN(C)CCN(C)c1cc[c]c([N+](=O)[O-])c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
HTR7 P34969 1/20 0.37
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
ALDH1A1 P00352 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 2/20 0.33
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
GAA P10253 1/20 0.31
MMP14 P50281 1/20 0.31
POLB P06746 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
HCAR3 P49019 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30

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
SCHEMBL589567 0.91 MAPT (0.42) MAPTHTR7CHRNB2CHRNA4ALDH1A1
SCHEMBL590762 0.86 MAPT (0.35) MAPTHTR7ALDH1A1KDM4E
SCHEMBL590610 0.84 MAPT (0.33) MAPTCHRNB2CHRNA4ALDH1A1NPSR1
SCHEMBL28044545 0.84 MAPT (0.35) MAPTHTR7ALDH1A1KDM4E
SCHEMBL3211653 0.80 MAPT (0.47) MAPTALDH1A1NPSR1SMN1; SMN2
SCHEMBL592328 0.80 HTR7 (0.49) HTR7ALDH1A1
SCHEMBL591011 0.78 HTR7 (0.50) MAPTHTR7ALDH1A1NPSR1KDM4E
SCHEMBL589768 0.74 CHRNB2 (0.58) MAPTCHRNB2CHRNA4ALDH1A1KDM4E
SCHEMBL591107 0.73 PYCR1 (0.35) CHRNB2CHRNA4ALDH1A1CRHBPCRHR2
SCHEMBL591061 0.72 NOS1 (0.38) ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2120932-B1 INDAZOLE DERIVATIVES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER NERVIANO MEDICAL SCIENCES SRL (IT) 2014-07-09 EP disclosed
US-8114865-B2 Indazole derivatives as kinase inhibitors for the treatment of cancer NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-02-14 US disclosed
US-20100197665-A1 INDAZOLE DERIVATIVES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-08-05 US disclosed
CN-101594862-A Substituted indazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES SRL (IT) 2009-12-02 CN disclosed
EP-2120932-A1 INDAZOLE DERIVATIVES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER Nerviano Medical Sciences S.r.l. (IT) 2009-11-25 EP disclosed
WO-2008074749-A9 INDAZOLE DERIVATIVES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER NERVIANO MEDICAL SCIENCES SRL (IT) 2009-05-07 WO disclosed
WO-2008074749-A1 INDAZOLE DERIVATIVES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2008-06-26 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-20100197665-A1 INDAZOLE DERIVATIVES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER MAP3K5, MAP3K19, MAP3K3 MAPT 2569/4885HTR7 3718/4885CHRNB2 4611/4885

“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.