SCHEMBL720294

SCHEMBL720294

CC(C)N1[C@H](C)CN(Cc2nnc(-c3cc(Br)cc4c3cnn4S(=O)(=O)c3ccccc3)o2)C[C@@H]1C

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 4/20 0.34
NPC1 O15118 3/20 0.33
HTR6 P50406 3/20 0.33
TDP1 Q9NUW8 1/20 0.32
POLB P06746 2/20 0.31
KMT2A Q03164 1/20 0.31
HTR4 Q13639 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
ALDH1A1 P00352 1/20 0.30
XBP1 P17861 1/20 0.30
HTT P42858 1/20 0.30
PAX8 Q06710 1/20 0.30
MCOLN3 Q8TDD5 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
SCHEMBL470156 0.89 RAB9A (0.36) MAPTTP53RAB9ANPC1HTR6
SCHEMBL713695 0.88 KMT2A (0.39) MAPTTP53RAB9AHTR6POLB
SCHEMBL713738 0.84 RAB9A (0.36) MAPTTP53RAB9ANPC1HTR6
SCHEMBL470117 0.82 PIK3CD (0.35) MAPTTP53RAB9ATDP1POLB
SCHEMBL713569 0.81 MAPT (0.34) MAPTTP53RAB9ANPC1HTR6
SCHEMBL720604 0.81 HTR6 (0.36) MAPTTP53RAB9ANPC1HTR6
SCHEMBL716114 0.81 NPC1 (0.39) MAPTRAB9ANPC1HTR6TDP1
SCHEMBL720605 0.81 HTR6 (0.38) MAPTTP53RAB9ANPC1HTR6
SCHEMBL715801 0.80 PIK3CG (0.42) MAPTTP53RAB9ANPC1HTR6
SCHEMBL470351 0.80 HTR6 (0.35) MAPTTP53RAB9AHTR6POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9326987-B2 Indazole derivatives for use in the treatment of influenza virus infection GLAXO GROUP LIMITED (GB) 2016-05-03 US disclosed
US-9326987-B2 Indazole derivatives for use in the treatment of influenza virus infection GLAXO GROUP LIMITED (GB) 2016-05-03 US disclosed
US-9326987-B2 Indazole derivatives for use in the treatment of influenza virus infection GLAXO GROUP LIMITED (GB) 2016-05-03 US disclosed
EP-2406255-B1 4-OXADIAZOL-2-YL-INDAZOLES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LTD (GB) 2015-04-29 EP disclosed
US-8524751-B2 4-oxadiazol-2-YL-indazoles as inhibitors of P13 kinases GlaxoSmithKline Intellecutual Property Development (GB) 2013-09-03 US disclosed
US-8524751-B2 4-oxadiazol-2-YL-indazoles as inhibitors of P13 kinases GlaxoSmithKline Intellecutual Property Development (GB) 2013-09-03 US disclosed
US-8524751-B2 4-oxadiazol-2-YL-indazoles as inhibitors of P13 kinases GlaxoSmithKline Intellecutual Property Development (GB) 2013-09-03 US disclosed
US-20130165433-A1 Novel Use GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-06-27 US disclosed
US-20130165433-A1 Novel Use GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-06-27 US disclosed
US-20130165433-A1 Novel Use GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-06-27 US disclosed
US-20120053166-A1 4-Oxadiazol-2-YL-Indazoles as Inhibitors of P13 Kinases GLAXO GROUP LIMITED (GB) 2012-03-01 US disclosed
US-20120053166-A1 4-Oxadiazol-2-YL-Indazoles as Inhibitors of P13 Kinases GLAXO GROUP LIMITED (GB) 2012-03-01 US disclosed
US-20120053166-A1 4-Oxadiazol-2-YL-Indazoles as Inhibitors of P13 Kinases GLAXO GROUP LIMITED (GB) 2012-03-01 US 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-20130165433-A1 Novel Use HAVCR2, MAVS, ENTPD5 MAPT 3121/4885TP53 2519/4885RAB9A 1739/4885
US-20120053166-A1 4-Oxadiazol-2-YL-Indazoles as Inhibitors of P13 Kinases CDK3, CDK13, AKT3 MAPT 3026/4885TP53 599/4885RAB9A 1782/4885

“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.