SCHEMBL589669

SCHEMBL589669

O=C(Nc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2cccc(S(=O)(=O)c3ccccc3)c12)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 11/20 0.37
ABCC8 Q09428 11/20 0.37
KCNJ11 Q14654 11/20 0.37
KCNJ8 Q15842 11/20 0.37
KMT2A Q03164 3/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
MEN1 O00255 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
KDM4E B2RXH2 1/20 0.34
SLC40A1 Q9NP59 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ELOVL1 Q9BW60 1/20 0.33

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
SCHEMBL589668 0.79 ABCC9 (0.39) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL591067 0.75 ABCC9 (0.42) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL591102 0.72 ABCC9 (0.35) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL17848156 0.70 DYRK1A (0.40) KMT2AMEN1KDM4ENPC1RAB9A
SCHEMBL590367 0.67 NAMPT (0.41) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL590143 0.66 RORC (0.41) KMT2AMEN1KDM4E
SCHEMBL3513766 0.65 VNN1 (0.35) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL3512726 0.65 NTRK1 (0.40) CYP2C9
SCHEMBL14699116 0.60 TSHR (0.42) CYP3A4CYP1A2CYP2D6TSHRKDM4E
SCHEMBL590142 0.59 DYRK1A (0.44) ABCC9ABCC8KCNJ11KCNJ8KMT2A

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.