SCHEMBL590945

SCHEMBL590945

O=C(Nc1n[nH]c2ccc(S(=O)(=O)c3cccc(F)c3)cc12)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 1/20 0.47
ABCC8 Q09428 1/20 0.47
KCNJ11 Q14654 1/20 0.47
KCNJ8 Q15842 1/20 0.47
ALK Q9UM73 2/20 0.42
DYRK1A Q13627 3/20 0.41
GSK3B P49841 2/20 0.41
GSK3A P49840 1/20 0.41
NTRK1 P04629 2/20 0.41
CDK1 P06493 2/20 0.41
CDK2 P24941 2/20 0.41
PLK4 O00444 1/20 0.41
MAPK13 O15264 1/20 0.41
DAPK3 O43293 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
PIM1 P11309 1/20 0.41
MARK3 P27448 1/20 0.41
FLT4 P35916 1/20 0.41
MAPK8 P45983 1/20 0.41

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
SCHEMBL591466 0.91 NTRK1 (0.47) ABCC9ABCC8KCNJ11KCNJ8ALK
SCHEMBL590142 0.90 DYRK1A (0.44) ABCC9ABCC8KCNJ11KCNJ8DYRK1A
SCHEMBL27785430 0.85 CDK2 (0.46) ABCC9ABCC8KCNJ11KCNJ8ALK
SCHEMBL591150 0.84 NAMPT (0.43) ABCC9ABCC8KCNJ11KCNJ8DYRK1A
SCHEMBL589703 0.76 JAK2 (0.48) DYRK1ACDK1CDK2PLK4DAPK3
SCHEMBL589728 0.75 KIT (0.65) ALKNTRK1AURKBHTR6
SCHEMBL592522 0.74 HTR6 (0.42) ALKDYRK1AGSK3BGSK3ACDK1
SCHEMBL590113 0.74 ALK (0.59) ALKDYRK1AGSK3BNTRK1PLK4
SCHEMBL6855281 0.74 DYRK1A (0.67) DYRK1AGSK3BGSK3ANTRK1CDK1
SCHEMBL16934639 0.74 CDK7 (0.57) DYRK1ACDK1PLK4MAPK13DAPK3

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 6 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
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 ABCC9 1789/4885ABCC8 2308/4885KCNJ11 3141/4885

“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.